SCHEMBL1029045

SCHEMBL1029045

NC1CCCCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
KCNA5 P22460 1/20 0.44
TACR1 P25103 4/20 0.43
DPP4 P27487 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CTSV O60911 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
IDO1 P14902 1/20 0.41
OPRM1 P35372 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
SCHEMBL4148486 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL354312 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL354344 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4155973 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1135026 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1135025 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4351377 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1135030 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4351369 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1135049 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-30 US disclosed
CN-110407898-B Amphotericin B derivatives with improved therapeutic index 伊利诺伊大学评议会 2023-12-01 CN disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
US-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2022-02-24 US disclosed
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-14 US disclosed
WO-2000047545-A1 METHOD FOR THE RACEMIZATION OF OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
WO-2000047546-A1 METHOD FOR THE RACEMIZATION OF OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
WO-2000029357-A1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
US-6049007-A REACTING IN SITU AN OPTICALLY ACTIVE AMINE, SECONDARY ALCOHOL OR UNSYMMETRICAL KETONE AND A PRIMARY AMINE IN PRESENCE OF HYDROGEN AND HYDROGENATION OR DEHYDROGENATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 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 (8 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-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 PSEN1 4477/4885PSEN2 4715/4885APH1B 127/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC PSEN1 1508/4885PSEN2 1329/4885APH1B 2426/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG PSEN1 4179/4885PSEN2 3499/4885APH1B 2797/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 PSEN1 280/4885PSEN2 97/4885APH1B 2727/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC PSEN1 1508/4885PSEN2 1329/4885APH1B 2426/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 PSEN1 2549/4885PSEN2 3208/4885APH1B 4834/4885
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 PSEN1 4477/4885PSEN2 4715/4885APH1B 127/4885
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 PSEN1 4477/4885PSEN2 4715/4885APH1B 127/4885

“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.