SCHEMBL896894

SCHEMBL896894

COc1cc(NC(=O)Oc2ccccc2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.47
KDR P35968 1/20 0.46
TNNI3K Q59H18 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
MAPT P10636 1/20 0.46
FAAH O00519 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29141773 0.85 KDR (0.43) ALDH1A1SMN1; SMN2GAAHTTKDR
SCHEMBL30781993 0.85 KDR (0.43) ALDH1A1SMN1; SMN2GAAHTTKDR
SCHEMBL10101750 0.83 PORCN (0.51) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL8211768 0.81 POLB (0.47) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL21161286 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2POLBMAPTFAAH
SCHEMBL59779 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL29141782 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL30781986 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL15890196 0.80 NPC1 (0.59) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL16513943 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951082-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-9951082-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2018-03-15 US disclosed
US-9902732-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-02-27 US disclosed
US-9902732-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-02-27 US disclosed
US-20170066774-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066774-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9464094-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2016-10-11 US disclosed
US-9464094-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2016-10-11 US disclosed
US-20160031896-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2016-02-04 US disclosed
US-20160024102-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024102-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-9108975-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2015-08-18 US disclosed
US-9108975-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2015-08-18 US disclosed
EP-2639234-A1 CRYSTALLINE 6,7-UNSATURATED-7-CARBAMOYL MORPHINANE DERIVATIVE, AND METHOD FOR PRODUCING SAME Shionogi&Co., Ltd. (JP) 2013-09-18 EP disclosed
US-20130231485-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2013-09-05 US disclosed
US-20130231485-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2013-09-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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 (6 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-20160024102-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 ALDH1A1 1010/4885SMN1; SMN2 3207/4885GAA 1749/4885
US-20160031896-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 ALDH1A1 962/4885SMN1; SMN2 3024/4885GAA 1621/4885
US-20130231485-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 ALDH1A1 1010/4885SMN1; SMN2 3207/4885GAA 1749/4885
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 ALDH1A1 1010/4885SMN1; SMN2 3207/4885GAA 1749/4885
US-20170066774-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 ALDH1A1 1010/4885SMN1; SMN2 3207/4885GAA 1749/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH ALDH1A1 709/4885SMN1; SMN2 1073/4885GAA 801/4885

“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.