SCHEMBL435619

SCHEMBL435619

Clc1ccc(C2CCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.59
DRD2 P14416 1/20 0.52
SLC18A3 Q16572 1/20 0.52
ESR2 Q92731 6/20 0.47
LSS P48449 2/20 0.44
SRD5A1 P18405 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SLC2A1 P11166 1/20 0.43
ESR1 P03372 5/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL218475 0.95 HTR3A (0.59) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL8125540 0.92 HTR3A (0.57) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL22870548 0.92 HTR3A (0.57) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL127746 0.92 HTR3A (0.57) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL315186 0.89 HTR3A (0.58) HTR3ADRD2SLC18A3ESR2LSS
Bicarbonate SCHEMBL11118762 0.89 BCL2L1 (0.50) HTR3ADRD2SLC18A3ALDH1A1POLB
SCHEMBL8747330 0.89 HTR3A (0.50) HTR3ADRD2SLC18A3ESR2MEN1
Methyl Alcohol SCHEMBL8471414 0.88 SLC18A3 (0.56) HTR3ADRD2SLC18A3ESR2LSS
SCHEMBL11492945 0.87 BCL2L1 (0.49) HTR3ASLC18A3
SCHEMBL12917876 0.86 HTR3A (0.52) HTR3ADRD2SLC18A3ESR2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
JP-4789934-B2 2011-10-12 JP claimed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US claimed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US claimed
EP-1753736-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2007-02-21 EP claimed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 US claimed
WO-2005116002-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2005-12-08 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
WO-2002036540-A2 PROCESS FOR PREPARATION OF β-PHENETHYLAMINE DERIVATIVE TORRENT PHARMACEUTICALS LTD (IN) 2002-05-10 WO claimed
EP-0230742-B1 N,N-dimethyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride monohydrate and pharmaceutical compositions containing it The Boots Company PLC (GB) 1990-09-26 EP claimed

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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 HTR3A 937/4885DRD2 1476/4885SLC18A3 2946/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 HTR3A 1500/4885DRD2 1660/4885SLC18A3 3409/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 HTR3A 930/4885DRD2 941/4885SLC18A3 2731/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K HTR3A 3957/4885DRD2 4873/4885SLC18A3 2346/4885
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 HTR3A 1500/4885DRD2 1660/4885SLC18A3 3409/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 HTR3A 937/4885DRD2 1476/4885SLC18A3 2946/4885

“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.