SCHEMBL1973791

SCHEMBL1973791

CCn1cc(Cl)c(C(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 6/20 0.52
HTT P42858 4/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL2594648 0.84 L3MBTL1 (0.59) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL3676954 0.79 NPC1 (0.47) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL3454821 0.78 NPC1 (0.68) RAB9ANPC1HTTKDM4EL3MBTL1
SCHEMBL28515221 0.78 NPC1 (0.50) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL30744910 0.78 NPC1 (0.46) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL1973192 0.77 HTT (0.39) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL1975432 0.77 HTR2A (0.40) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL18138296 0.76 NPC1 (0.49) RAB9ANPC1HTTKDM4EL3MBTL1
SCHEMBL17926762 0.75 NPC1 (0.44) RAB9ANPC1HTTKDM4EPOLB
SCHEMBL22057947 0.75 ALDH1A1 (0.44) RAB9ANPC1HTTKDM4EPOLB

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 67 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-2018371-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) 2009-01-28 EP claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
WO-2007136703-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) 2007-11-29 WO claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-12-09 US disclosed
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-02-13 US disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2007136703-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) 2007-11-29 WO disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (7 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-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C RAB9A 1466/4885NPC1 1250/4885HTT 1279/4885
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 RAB9A 1172/4885NPC1 653/4885HTT 308/4885
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 RAB9A 1172/4885NPC1 653/4885HTT 308/4885
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 RAB9A 1172/4885NPC1 653/4885HTT 308/4885
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B RAB9A 1275/4885NPC1 1049/4885HTT 1043/4885
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 RAB9A 1040/4885NPC1 792/4885HTT 664/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 RAB9A 2799/4885NPC1 4204/4885HTT 3607/4885

“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.