SCHEMBL1193549

SCHEMBL1193549

OC[C@@H]1Cc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.59
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
PRKCD Q05655 6/20 0.44
PRKCG P05129 1/20 0.44
PRKCA P17252 1/20 0.44
PNMT P11086 4/20 0.41
MTNR1A P48039 3/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
AR P10275 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
SCHEMBL2450511 1.00 CREBBP (0.59) CREBBPGAAMAPTPRKCDPRKCG
SCHEMBL550431 1.00 CREBBP (0.59) CREBBPGAAMAPTPRKCDPRKCG
SCHEMBL29427458 1.00 CREBBP (0.59) CREBBPGAAMAPTPRKCDPRKCG
SCHEMBL30681442 1.00 CREBBP (0.59) CREBBPGAAMAPTPRKCDPRKCG
SCHEMBL30288510 1.00 CREBBP (0.59) CREBBPGAAMAPTPRKCDPRKCG
SCHEMBL16671960 0.85 GAA (0.47) CREBBPGAAMAPTPNMTMTNR1A
SCHEMBL11319601 0.85 GAA (0.47) CREBBPGAAMAPTPNMTMTNR1A
SCHEMBL14881136 0.82 PNMT (0.47) CREBBPGAAMAPTPNMTMTNR1A
SCHEMBL11426860 0.82 GAA (0.47) CREBBPGAAMAPTPNMTMTNR1A
SCHEMBL3441906 0.81 MTNR1A (0.56) CREBBPGAAMAPTPRKCDPRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 CN claimed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 CN claimed
CN-101657457-A Be used to prepare 1,3, the method for 2-oxa-boron acridine compound ZACH SYSTEM FR 2010-02-24 CN claimed
EP-2102218-A2 METHOD FOR PREPARING 1,3,2-OXAZABOROLIDINE COMPOUNDS Zach System (FR) 2009-09-23 EP claimed
US-7586015-B2 Process for the preparation of 1,3,2-oxazaborolidine compounds ZACH SYSTEM (FR) 2009-09-08 US claimed
WO-2008078041-A2 METHOD FOR PREPARING 1,3,2-OXAZABOROLIDINE COMPOUNDS ZACH SYSTEM (FR) 2008-07-03 WO claimed
US-20080139851-A1 R2, R3, R4 and R5 are especially a hydrogen atom or an alkyl,wherein the following are reacted in two steps:a) a boric precursor compound with an acetal compound to give a boronate compound; and) the boronate compound with an amino alcohol compound PPG-SIPSY (FR) 2008-06-12 US claimed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
US-12312349-B2 Apoptosis-inducing agents FOCHON PHARMACEUTICALS, LTD. (CN) 2025-05-27 US disclosed
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2025-05-22 US disclosed
US-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2025-05-01 US disclosed
EP-4540240-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME Monte Rosa Therapeutics AG (CH) 2025-04-23 EP disclosed
EP-4430035-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 Pharma LLC (US) 2024-09-18 EP disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-7087597-B1 Pyrimidine 5-carboxamide compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-08 US disclosed
EP-1223170-B1 PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2005-12-28 EP disclosed
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US disclosed
EP-1223170-A1 PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 US disclosed
US-4153699-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY RHONE-POULENC INDUSTRIES (FR) 1979-05-08 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 (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-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS CREBBP 1264/4885GAA 1443/4885MAPT 4321/4885
US-20080139851-A1 R2, R3, R4 and R5 are especially a hydrogen atom or an alkyl,wherein the following are reacted in two steps:a) a boric precursor compound with an acetal compound to give a boronate compound; and) the boronate compound with an amino alcohol compound ADH1A, ADH1C, ADH5 CREBBP 1036/4885GAA 4784/4885MAPT 3759/4885
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CREBBP 218/4885GAA 2900/4885MAPT 4848/4885
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones GABRP, GABBR1, GABARAP CREBBP 532/4885GAA 500/4885MAPT 317/4885
US-12312349-B2 Apoptosis-inducing agents BCL2, BAX, BAD CREBBP 116/4885GAA 2247/4885MAPT 3573/4885
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 CREBBP 3035/4885GAA 3136/4885MAPT 1675/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 CREBBP 2136/4885GAA 234/4885MAPT 614/4885

“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.