SCHEMBL130178

SCHEMBL130178

CCOc1ccc(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
HTT P42858 1/20 0.42
CYP19A1 P11511 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL28497790 0.98 MAPT (0.52) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL16812667 0.84 KDM4E (0.40) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL8282593 0.83 CCR1 (0.43) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL14294218 0.82 KDM4E (0.39) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL20381746 0.81 MAPT (0.44) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL8736759 0.81 KDM4E (0.53) MAPTKDM4EALDH1A1HTTNQO1
SCHEMBL17562257 0.80 CCR1 (0.44) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL17642661 0.80 CCR1 (0.44) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL3116672 0.80 CCR1 (0.44) MAPTCCR1CCR5CCR8HDAC6
SCHEMBL14182464 0.79 CYP3A4 (0.50) MAPTCCR1CCR5CCR8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO disclosed
US-5563159-A Dithiocarbonimide derivatives useful as acaricidal, fungicidal, and insecticidal agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-08 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 (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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 MAPT 4664/4885CCR1 184/4885CCR5 362/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS MAPT 1364/4885CCR1 1730/4885CCR5 383/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K MAPT 165/4885CCR1 4495/4885CCR5 4805/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885CCR1 402/4885CCR5 408/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 MAPT 4773/4885CCR1 692/4885CCR5 1684/4885
US-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR MAPT 2779/4885CCR1 342/4885CCR5 203/4885

“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.