SCHEMBL15099396

SCHEMBL15099396

CN1CCC2(CCOC(=O)N2Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRL1 P41146 2/20 0.39
MC4R P32245 1/20 0.39
GAA P10253 1/20 0.38
FAAH O00519 1/20 0.38
DRD4 P21917 1/20 0.38
MGLL Q99685 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PRTN3 P24158 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
AMPD2 Q01433 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
SCHEMBL16367125 0.87 FAAH (0.38) OPRM1OPRL1GAAFAAHMGLL
SCHEMBL6633133 0.77 SIGMAR1 (0.47) OPRL1MC4RFAAHCYP2D6CYP3A4
SCHEMBL15099421 0.76 KMT2A (0.40) FAAHCYP2D6CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL15093833 0.75 KMT2A (0.39) FAAHCYP2D6CYP3A4MEN1KMT2A
SCHEMBL15099391 0.74 MC4R (0.47) OPRM1OPRL1MC4RGAADRD4
SCHEMBL24394468 0.71 JAK3 (0.49) OPRM1MC4RDRD4CYP2D6CYP3A4
SCHEMBL15478093 0.71 HCRTR1 (0.51) MC4RGAAMEN1KMT2ASIGMAR1
SCHEMBL4319672 0.69 OPRM1 (0.37) OPRM1OPRL1ELANECTSGPRTN3
SCHEMBL8330597 0.68 MC4R (0.61) OPRL1MC4RCYP2D6CYP3A4MEN1
SCHEMBL18712903 0.68 CYP2D6 (0.60) MC4RGAACYP2D6CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370388-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2019-08-06 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 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-10370388-B2 Heterocyclic compounds and methods of their use AGTR2, AGTR1, BDKRB2 OPRM1 99/4885OPRL1 8/4885MC4R 610/4885
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 OPRM1 102/4885OPRL1 8/4885MC4R 615/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 OPRM1 102/4885OPRL1 8/4885MC4R 615/4885

“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.