SCHEMBL21838539

SCHEMBL21838539

CN(C)[C@H]1CC(c2cccc(Cl)c2)=CC[C@@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ OPRK1 P41145 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL21838618 0.86 RIPK1 (0.32) USP30
SCHEMBL21838579 0.84 NOTUM (0.34) —
SCHEMBL21838557 0.78 APP (0.36) KIF11
SCHEMBL20063894 0.76 USP30 (0.38) CNR2SLC6A3USP30
SCHEMBL21838611 0.73 RXFP1 (0.31) USP30
SCHEMBL15901607 0.72 KDM1A (0.44) CNR2KIF11TAAR1
SCHEMBL21838621 0.71 KDM1A (0.39) CNR2KIF11HTR2C
SCHEMBL21838631 0.71 KDM1A (0.39) CNR2KIF11HTR2C
SCHEMBL21838644 0.70 SCN9A (0.39) TP53SLC6A3HTR2CSLC9A1
SCHEMBL21838664 0.70 SCN9A (0.33) —

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CNR2 296/4885OPRK1 630/4885KIF11 3820/4885

“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.

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