SCHEMBL77479

SCHEMBL77479

Cc1cccnc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
SSTR4 P31391 1/20 0.42
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PLAU P00749 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
METAP2 P50579 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL130124 0.82 NOS3 (0.50) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL16252854 0.82 NOS3 (0.50) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL30816293 0.82 NOS3 (0.50) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL16019426 0.82 NOS3 (0.45) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL1332434 0.82 NOS3 (0.45) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL127352 0.79 NOS3 (0.46) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL31533100 0.79 NOS3 (0.46) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL18855163 0.79 NOS3 (0.42) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL20250121 0.78 SSTR4 (0.45) NOS3NOS1NOS2SSTR4NPC1
SCHEMBL11559804 0.77 NOS3 (0.45) NOS3NOS1NOS2SSTR4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (14 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A NOS3 675/4885NOS1 704/4885NOS2 478/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH NOS3 1943/4885NOS1 2790/4885NOS2 2748/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD NOS3 1849/4885NOS1 3585/4885NOS2 3128/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NOS3 4464/4885NOS1 4606/4885NOS2 4579/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 NOS3 3310/4885NOS1 4382/4885NOS2 3642/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP NOS3 3339/4885NOS1 2941/4885NOS2 3135/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 NOS3 1481/4885NOS1 464/4885NOS2 775/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 NOS3 4497/4885NOS1 4628/4885NOS2 4759/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 NOS3 2663/4885NOS1 4057/4885NOS2 3566/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM NOS3 419/4885NOS1 650/4885NOS2 526/4885
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV2 NOS3 2932/4885NOS1 2989/4885NOS2 2882/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 NOS3 3502/4885NOS1 4035/4885NOS2 3797/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB NOS3 4398/4885NOS1 4656/4885NOS2 4645/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NOS3 3501/4885NOS1 3702/4885NOS2 2487/4885

“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.