SCHEMBL905900

SCHEMBL905900

Cc1cc(N2CCNCC2)nc(OC(C)c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
HTR6 P50406 7/20 0.46
SLC6A4 P31645 3/20 0.44
HTR3A P46098 4/20 0.41
HTR2A P28223 3/20 0.41
HTR2B P41595 3/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ADRB1 P08588 2/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL905979 0.87 HTR2C (0.64) HTR2CHTR6SLC6A4ADRB1HTR1A
SCHEMBL906044 0.85 HTR6 (0.50) HTR2CHTR6SLC6A4HTR3AHTR2A
SCHEMBL905965 0.72 HTR2C (0.64) HTR2CHTR6SLC6A4HTR2AHTR1A
SCHEMBL906012 0.70 HTR6 (0.51) HTR2CHTR6SLC6A4HTR3AHTR2A
SCHEMBL20043262 0.68 CASP1 (0.50) HTR2CHTR3AHTR2AHTR3EHTR3B
SCHEMBL25379567 0.67 GBA1 (0.52) ADRB1
SCHEMBL30306132 0.67 GBA1 (0.52) ADRB1
SCHEMBL30376883 0.65 CASP1 (0.53) HTR2CHTR3AHTR2AHTR3EHTR3B
SCHEMBL14538233 0.65 CASP1 (0.53) HTR2CHTR3AHTR2AHTR3EHTR3B
SCHEMBL3266300 0.65 HTR2C (1.00) HTR2CHTR6SLC6A4HTR3AHTR2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US claimed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US claimed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP claimed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US claimed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US disclosed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 US disclosed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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 (6 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-20050032809-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2C 4/4885HTR6 9/4885SLC6A4 26/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885SLC6A4 49/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR2C 4/4885HTR6 8/4885SLC6A4 27/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885SLC6A4 49/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885SLC6A4 49/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2C 4/4885HTR6 9/4885SLC6A4 26/4885

“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.