SCHEMBL288802

SCHEMBL288802

O=C(O)N1CCc2cc(Br)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.59
ABHD6 Q9BV23 1/20 0.58
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56
TUBB1 Q9H4B7 1/20 0.56
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50

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
SCHEMBL28498038 0.90 PDK1 (0.61) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL17494980 0.86 XIAP (0.51) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL30021086 0.85 NOTUM (0.69) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL397314 0.85 NOTUM (0.69) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL18285190 0.84 SLC22A12 (0.54) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL30679189 0.83 HPGD (0.68) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL23064005 0.82 SLC22A12 (0.56) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL2083808 0.81 ABHD6 (0.64) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL20424481 0.81 TSHR (0.63) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL19687695 0.81 CYP11B1 (0.56) SLC22A12ABHD6TUBB4ATUBBTUBA3C

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2012-10-25 US claimed
US-20090197935-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-06 US claimed
EP-3476844-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2020-11-11 EP disclosed
EP-3476844-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2019-05-01 EP disclosed
US-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2019-04-11 US disclosed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US disclosed
US-10155021-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2018-12-18 US disclosed
US-9987252-B2 Primary amines and derivitves thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
EP-3312176-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2018-04-25 EP disclosed
CN-101501008-B Arylpiperazine derivatives and uses thereof F. HOFFMANN-LA ROCHE AG (CH) 2011-12-07 CN disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
US-20090197935-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
CN-101501008-A Arylpiperazine derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 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-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B SLC22A12 1507/4885ABHD6 3692/4885TUBB4A 2410/4885
US-10155021-B2 Antimicrobial 4-oxoquinolizines DCAF15, CUL4A, CUL4B SLC22A12 1485/4885ABHD6 3479/4885TUBB4A 2760/4885
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A SLC22A12 2021/4885ABHD6 3183/4885TUBB4A 1284/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A SLC22A12 2021/4885ABHD6 3183/4885TUBB4A 1284/4885
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto HTR5A, HTR2A, HTR1A SLC22A12 2021/4885ABHD6 3183/4885TUBB4A 1284/4885
US-20090197935-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A SLC22A12 2250/4885ABHD6 3312/4885TUBB4A 1630/4885

“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.