SCHEMBL891388

SCHEMBL891388

CC1CCC(C(C)C)C(C(=O)O)(C(NC(=O)C(C)N)(C(N)=O)c2ccccc2)C1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL891300 0.80 MAPT (0.37) ALDH1A1HPGDCYP2C9CYP2C19CHRM3
SCHEMBL24540622 0.63 GPR88 (0.40)
SCHEMBL29112379 0.63 GPR88 (0.40)
SCHEMBL24540630 0.63 GPR88 (0.40)
SCHEMBL24540616 0.63 GPR88 (0.40)
SCHEMBL7799804 0.62 L3MBTL1 (0.42) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL24540752 0.62 CNR1 (0.37) CYP2C9CYP2C19CHRM3KMT2A
SCHEMBL29112531 0.62 CNR1 (0.37) CYP2C9CYP2C19CHRM3KMT2A
SCHEMBL24540608 0.62 CYP2C19 (0.38) CYP2C9CYP2C19CHRM3KMT2ALMNA
SCHEMBL29112530 0.62 CNR1 (0.37) CYP2C9CYP2C19CHRM3KMT2A

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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885HPGD 1644/4885CYP2C9 4695/4885

“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.