SCHEMBL20757992

SCHEMBL20757992

NC(N)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
F2 P00734 1/20 0.48
PNMT P11086 2/20 0.47
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
OPRL1 P41146 4/20 0.46
ACP3 P15309 1/20 0.46
AOC3 Q16853 1/20 0.44
TSHR P16473 1/20 0.42
TACR1 P25103 2/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL24017140 0.85 ALDH1A1 (0.48) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL29897740 0.85 ALDH1A1 (0.48) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL3250967 0.85 ALDH1A1 (0.48) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL3257546 0.85 ALDH1A1 (0.48) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL21645338 0.85 ALDH1A1 (0.48) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL148751 0.81 ADRB2 (0.54) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL382596 0.81 ADRB2 (0.54) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL30504213 0.81 ADRB2 (0.54) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL25310844 0.81 ALDH1A1 (0.44) ALDH1A1PNMTOPRM1OPRD1OPRK1
SCHEMBL13666761 0.81 ADRB2 (0.54) ALDH1A1PNMTOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117255715-A Catalytic material suitable for hydrogenation reactions comprising Ni, one or more additional metals M and a specific oxidation support material 巴斯夫欧洲公司 2023-12-19 CN disclosed
US-10364258-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2019-07-30 US disclosed
US-20190055269-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2019-02-21 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 (2 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-20190055269-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885F2 3419/4885PNMT 2349/4885
US-10364258-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885F2 3419/4885PNMT 2349/4885

“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.