SCHEMBL2308330

SCHEMBL2308330

Cc1cccc(N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
NCF1 P14598 1/20 0.45
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TAAR1 Q96RJ0 1/20 0.39
DYRK1A Q13627 1/20 0.38
SMPD3 Q9NY59 2/20 0.37
CYP3A4 P08684 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GRM5 P41594 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL31415250 1.00 CCR1 (0.50) CCR1CCR8NOS3NOS2NCF1
SCHEMBL4271497 0.84 NCF1 (0.52) NCF1RAB9ANPC1MEN1KMT2A
SCHEMBL16741935 0.82 CCR1 (0.52) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL18884378 0.81 NOS3 (0.48) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL21767213 0.81 CCR1 (0.46) CCR1CCR8NOS3NOS2RAB9A
Trimethylammonium SCHEMBL6827118 0.78 CCR1 (0.60) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL14325784 0.78 CCR1 (0.48) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL14236835 0.78 CCR1 (0.48) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL18913392 0.78 CCR1 (0.43) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL9447425 0.78 CCR1 (0.48) CCR1CCR8NOS3NOS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed
WO-2023167049-A1 EPOXY RESIN COMPOSITION, REINFORCING FIBER-CONTAINING EPOXY RESIN COMPOSITION, PREPREG, FIBER REINFORCED PLASTIC EMPLOYING SAME, AND THERMOPLASTIC EPOXY RESIN 日鉄ケミカル&マテリアル株式会社 2023-09-07 WO disclosed
US-11718610-B2 Compounds containing benzosultam MEDSHINE DISCOVERY INC. (CN) 2023-08-08 US disclosed
US-11718610-B2 Compounds containing benzosultam MEDSHINE DISCOVERY INC. (CN) 2023-08-08 US disclosed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP disclosed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO disclosed
CN-1205009-A Pyrazolopyrimidines type compound JANSSEN PHARMACEUTICA NV (BE) 1999-01-13 CN 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 (3 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-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 CCR1 627/4885CCR8 1741/4885NOS3 2833/4885
US-11718610-B2 Compounds containing benzosultam TBXA2R, TBXAS1, SULT2A1 CCR1 4211/4885CCR8 3907/4885NOS3 2654/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CCR1 2622/4885CCR8 2182/4885NOS3 1451/4885

“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.