SCHEMBL143511

SCHEMBL143511

O=CCC(c1c[nH]c2ccccc12)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
HTR2C P28335 4/20 0.46
ADRB2 P07550 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40
GHSR Q92847 1/20 0.39
CYP2A6 P11509 1/20 0.38
IMPDH2 P12268 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL740828 0.76 HTR2C (0.50) SLC6A4HTR2CADRB2HTR3EHTR3B
SCHEMBL2071447 0.73 HTR2C (0.50) SLC6A4HTR2CADRB2HTR3EHTR3B
SCHEMBL11203135 0.72 SLC6A4 (0.51) SLC6A4HTR2CADRB2HTR3EHTR3B
SCHEMBL1272426 0.72 HTR2A (0.64) SLC6A4HTR2CGPR84FFAR1HTR2A
SCHEMBL6654177 0.72 HTR2A (0.64) SLC6A4HTR2CGPR84FFAR1HTR2A
SCHEMBL29003968 0.70 KMT2A (0.52) HTR2CGPR84FFAR1HTR2AHTR2B
SCHEMBL27663359 0.70 LMNA (0.48) HTR2CGPR84FFAR1HTR2AHTR2B
SCHEMBL11148497 0.69 SLC6A4 (0.57) SLC6A4HTR2CADRB2HTR3EHTR3B
SCHEMBL22478760 0.69 MAPT (0.64) HTR2CGPR84FFAR1HTR2AHTR2B
SCHEMBL21479835 0.68 GPR84 (0.58) SLC6A4HTR2CADRB2GPR84FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064255-A ANTIDEPRESSANTS MAR-PHA SOCIETE D'ETUDES ET D'EXPLOITATION DE MARQUES (FR) 1977-12-20 US claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 US disclosed
US-20080280862-A1 Methods, compositions, and kits for the treatment of pain COMBINATORX, INCORPORATED 2008-11-13 US disclosed
US-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions COMBINATORX, INCORPORATED (US) 2007-09-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INCORPORATED 2005-09-01 US disclosed
US-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX 2005-07-14 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-18 US disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280862-A1 Methods, compositions, and kits for the treatment of pain ACHE, MPO, P2RX3 SLC6A4 2924/4885HTR2C 931/4885ADRB2 1373/4885
US-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885HTR2C 185/4885ADRB2 481/4885
US-20070225217-A1 Methods, compositions, and kits for the treatment of medical conditions TNF, PYGM, IL6 SLC6A4 4851/4885HTR2C 3475/4885ADRB2 3373/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885HTR2C 3983/4885ADRB2 1128/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 SLC6A4 1836/4885HTR2C 770/4885ADRB2 802/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A4 938/4885HTR2C 1189/4885ADRB2 2009/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 SLC6A4 3009/4885HTR2C 3960/4885ADRB2 2249/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885HTR2C 185/4885ADRB2 481/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A4 761/4885HTR2C 206/4885ADRB2 638/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885HTR2C 185/4885ADRB2 481/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A4 4506/4885HTR2C 4200/4885ADRB2 3157/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A4 3269/4885HTR2C 3397/4885ADRB2 4230/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A4 3269/4885HTR2C 3397/4885ADRB2 4230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.