SCHEMBL19600975

SCHEMBL19600975

COc1ccc2c(c1)CCC(CN)=C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
PTGS2 P35354 1/20 0.50
CYP19A1 P11511 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
BCL2 P10415 1/20 0.44
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL629729 0.89 CYP11B1 (0.54) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL21556956 0.80 S1PR1 (0.44) CYP11B1CYP11B2MAOBMAPT
SCHEMBL11469458 0.79 CYP11B1 (0.48) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL19600977 0.78 MCHR1 (0.38) MCHR1ALDH1A1DRD2DRD3
SCHEMBL5904263 0.78 MCHR1 (0.63) CYP11B1CYP11B2PTGS2CYP19A1MCHR1
SCHEMBL223835 0.77 CYP11B2 (0.56) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL6822431 0.77 CYP11B2 (0.63) CYP11B1CYP11B2PTGS2CYP19A1
SCHEMBL11666679 0.77 S1PR1 (0.49) CYP11B1CYP11B2PTGS2CYP19A1MCHR1
SCHEMBL9448945 0.77 ALOX5 (0.61) CYP11B1CYP11B2PTGS2MCHR1
SCHEMBL636380 0.76 MCHR1 (0.45) CYP11B1CYP11B2PTGS2CYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-16 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 (1 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-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE S1PR5, LPAR5, S1PR1 CYP11B1 854/4885CYP11B2 859/4885PTGS2 1941/4885

“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.