SCHEMBL6938337

SCHEMBL6938337

CCCCc1ccnc(N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.66
NOS3 P29474 3/20 0.66
NOS1 P29475 3/20 0.66
SKP2 Q13309 1/20 0.50
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49

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
SCHEMBL729575 0.94 NOS3 (0.63) NOS2NOS3NOS1SKP2GABRP
SCHEMBL5749578 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL8527159 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL11553700 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL3443609 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL5746040 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL27678823 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL19309208 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL5744814 0.93 NOS3 (0.61) NOS2NOS3NOS1SKP2GABRP
SCHEMBL105611 0.88 NOS2 (0.70) NOS2NOS3NOS1GABRPGABRD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed
CN-101171014-B Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-02-15 CN disclosed
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 CN disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
CN-1438991-A Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER CIMITED (US) 2003-08-27 CN disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 WO disclosed
US-4115397-A 1,3,5,7-TETRA(2-PYRIDYLIMINO)-BENZODIPYRROLES FORD MOTOR COMPANY (US) 1978-09-19 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 (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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD NOS2 4131/4885NOS3 3183/4885NOS1 3992/4885
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA NOS2 2054/4885NOS3 2481/4885NOS1 3329/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 NOS2 2122/4885NOS3 1510/4885NOS1 1572/4885

“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.