SCHEMBL419149

SCHEMBL419149

CC(=O)N1Cc2ccccc2CC1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.56
OPRM1 P35372 2/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HSD17B3 P37058 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
BCL2 P10415 1/20 0.46
BAD Q92934 1/20 0.46
OPRL1 P41146 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 1/20 0.44
LIPE Q05469 1/20 0.44
ACE P12821 3/20 0.43
TACR1 P25103 1/20 0.43
POLB P06746 1/20 0.43
PREP P48147 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL20738530 1.00 NOTUM (0.56) NOTUMOPRM1OPRD1OPRK1HSD17B3
SCHEMBL20738534 1.00 NOTUM (0.56) NOTUMOPRM1OPRD1OPRK1HSD17B3
SCHEMBL15355395 0.86 OPRM1 (0.49) NOTUMOPRM1OPRD1OPRK1BCL2
SCHEMBL20738518 0.84 NOTUM (0.54) NOTUMOPRM1HSD17B3OPRL1KCNH2
SCHEMBL24925917 0.81 OPRM1 (0.49) NOTUMOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL24925839 0.81 OPRM1 (0.49) NOTUMOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18970120 0.81 LMNA (0.54) NOTUMOPRM1OPRD1OPRK1BCL2
SCHEMBL24925818 0.81 OPRM1 (0.49) NOTUMOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1690525 0.81 LMNA (0.54) NOTUMOPRM1OPRD1OPRK1BCL2
SCHEMBL26818008 0.81 OPRM1 (0.55) NOTUMOPRM1OPRD1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-3330252-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2020-02-12 EP disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof SIGNUM DERMALOGIX, INC. 2016-12-15 US disclosed
US-9376383-B2 Isoprenyl compounds SIGNUM BIOSCIENCES, INC. (US) 2016-06-28 US disclosed
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 WO disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-4228170-A INHIBITOR OF PHENYLETHANOLAMINE N-METHYLTRANSFERASE SMITHKLINE CORPORATION (US) 1980-10-14 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-20120065103-A1 Prolyl Endopeptidase Probes PREP, XPNPEP1, ANPEP NOTUM 1014/4885OPRM1 2913/4885OPRD1 2513/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885OPRM1 571/4885OPRD1 1398/4885
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 NOTUM 10/4885OPRM1 4762/4885OPRD1 3514/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885OPRM1 571/4885OPRD1 1398/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4156/4885OPRM1 572/4885OPRD1 1370/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4102/4885OPRM1 571/4885OPRD1 1398/4885

“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.