SCHEMBL7951929

SCHEMBL7951929

Cc1cnc(C(C)C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.48
NOS2 P35228 4/20 0.48
NOS1 P29475 3/20 0.48
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
APLNR P35414 2/20 0.35
CYP1A2 P05177 1/20 0.34
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 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
SCHEMBL31003239 0.82 NOS3 (0.45) NOS3NOS2NOS1CCR1CCR5
SCHEMBL16414361 0.82 NOS3 (0.50) NOS3NOS2NOS1CCR1CCR5
SCHEMBL18018122 0.79 NOS3 (0.46) NOS3NOS2NOS1CCR1CCR5
SCHEMBL13438492 0.79 CCR1 (0.37) NOS3NOS2NOS1CCR1CCR5
SCHEMBL6124195 0.79 LMNA (0.35) S1PR1S1PR3
SCHEMBL23365996 0.79 NOS3 (0.42) NOS3NOS2NOS1CCR1CCR5
SCHEMBL12248259 0.77 CCR1 (0.35) NOS3NOS2NOS1CCR1CCR5
SCHEMBL12041152 0.77 CCR1 (0.35) NOS3NOS2NOS1CCR1CCR5
SCHEMBL22725617 0.77 NOS3 (0.37) NOS3NOS2NOS1S1PR1S1PR3
SCHEMBL21736822 0.77 CCR1 (0.35) NOS3NOS2NOS1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 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
WO-2023220129-A1 BENZOYPARAZINE PYRAZINES ANE THEIR USES 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-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 US disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 NOS3 1746/4885NOS2 1706/4885NOS1 1152/4885
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 NOS3 3788/4885NOS2 4371/4885NOS1 4315/4885
US-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS3 622/4885NOS2 3160/4885NOS1 3462/4885
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS2 1665/4885NOS1 1881/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS2 1665/4885NOS1 1881/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 NOS3 1423/4885NOS2 1679/4885NOS1 1617/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 NOS3 1746/4885NOS2 1706/4885NOS1 1152/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 NOS3 1746/4885NOS2 1706/4885NOS1 1152/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOS3 826/4885NOS2 589/4885NOS1 394/4885
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase IL2, NFATC1, IL2RA NOS3 2003/4885NOS2 652/4885NOS1 1860/4885
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 NOS3 1919/4885NOS2 1874/4885NOS1 1253/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS2 211/4885NOS1 335/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH NOS3 4752/4885NOS2 4792/4885NOS1 4778/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS2 1665/4885NOS1 1881/4885

“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.