SCHEMBL2353566

SCHEMBL2353566

CCCCc1nnc(OC2CCN(C)CC2)cc1-c1ccc(O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.45
QDPR P09417 2/20 0.42
TGFBR1 P36897 2/20 0.41
ACVR1 Q04771 2/20 0.41
FYN P06241 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
JAK1 P23458 1/20 0.38
MELK Q14680 1/20 0.37
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
NPM1 P06748 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGR P09769 1/20 0.36
KIT P10721 1/20 0.36
BCR P11274 1/20 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
SCHEMBL2379770 0.87 TGFBR1 (0.40) TGFBR1ACVR1ABL1LCKNPM1
Hydrochloric Acid SCHEMBL2352102 0.86 TGFBR1 (0.40) TGFBR1ACVR1ABL1LCKNPM1
SCHEMBL2344557 0.86 ESR1 (0.39) TGFBR1ACVR1TDO2
SCHEMBL2382486 0.85 MELK (0.35) TGFBR1ACVR1MELKTDO2KCNH2
Hydrochloric Acid SCHEMBL2346533 0.84 MELK (0.35) TGFBR1ACVR1MELKTDO2KCNH2
SCHEMBL2348798 0.83 NPC1 (0.42) ABL1LCKNPM1CSF1RLYN
Hydrochloric Acid SCHEMBL2383223 0.83 NPC1 (0.41) ABL1LCKNPM1CSF1RLYN
SCHEMBL2383281 0.81 TGFBR1 (0.44) TGFBR1ACVR1TDO2KCNH2
SCHEMBL2344152 0.80 TGFBR1 (0.43) TGFBR1ACVR1KCNH2
Hydrochloric Acid SCHEMBL2350451 0.80 TGFBR1 (0.43) TGFBR1ACVR1TDO2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 WO 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 TRPV1 1589/4885QDPR 1230/4885TGFBR1 570/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 TRPV1 2576/4885QDPR 1163/4885TGFBR1 826/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 TRPV1 2576/4885QDPR 1163/4885TGFBR1 826/4885

“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.