SCHEMBL12895995

SCHEMBL12895995

Cc1cnc(C(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
ALDH1A1 P00352 1/20 0.31
BACE1 P56817 1/20 0.31
UHRF1 Q96T88 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL18808746 0.84 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL12848422 0.83 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1
SCHEMBL24664975 0.81 NOS3 (0.43) NOS3NOS1NOS2BACE1
SCHEMBL16414431 0.81 NOS3 (0.48) NOS3NOS1NOS2BACE1UHRF1
SCHEMBL18068087 0.81 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL24220127 0.81 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL1644745 0.81 NOS3 (0.48) NOS3NOS1NOS2BACE1UHRF1
SCHEMBL24802281 0.79 PSMD14 (0.32) NOS3NOS1NOS2
SCHEMBL23842580 0.79 NOS3 (0.41) NOS3NOS1NOS2ALDH1A1BACE1
SCHEMBL22725593 0.79 NOS3 (0.32) NOS3NOS1NOS2UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11785966-B2 Use of gamma-quaternary ammonium butyrate compound in preparation of an animal feed additive Anipha Technologies Pty Ltd (AU) 2023-10-17 US disclosed
US-11785966-B2 Use of gamma-quaternary ammonium butyrate compound in preparation of an animal feed additive Anipha Technologies Pty Ltd (AU) 2023-10-17 US disclosed
US-20220132889-A1 USE OF GAMMA-QUATERNARY AMMONIUM BUTYRATE COMPOUND IN PREPARATION OF AN ANIMAL FEED ADDITIVE PENG, Xianfeng (CN) 2022-05-05 US disclosed
EP-2340243-B1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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 (11 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 NOS3 3788/4885NOS1 4315/4885NOS2 4371/4885
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL NOS3 3492/4885NOS1 2474/4885NOS2 3868/4885
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NOS3 472/4885NOS1 1879/4885NOS2 1037/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP NOS3 4604/4885NOS1 4522/4885NOS2 4564/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL NOS3 3492/4885NOS1 2474/4885NOS2 3868/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOS3 826/4885NOS1 394/4885NOS2 589/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C NOS3 4605/4885NOS1 4658/4885NOS2 4466/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH NOS3 4752/4885NOS1 4778/4885NOS2 4792/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885

“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.