SCHEMBL20021995

SCHEMBL20021995

CCc1cc(C)c(N[C@H](C)c2ccc(O)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.40
▸ MAPKAPK2 P49137 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR1 P03372 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34

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
SCHEMBL21734154 0.83 PDE2A (0.44) EGFR
SCHEMBL17723859 0.83 PDE2A (0.44) EGFR
SCHEMBL17723397 0.81 EGFR (0.44) EGFRMAPKAPK2ALDH1A1GAAHTT
SCHEMBL17723372 0.81 EGFR (0.44) EGFRMAPKAPK2ALDH1A1GAAHTT
SCHEMBL17723383 0.70 EGFR (0.39) EGFRMAPKAPK2ESR1MAPTESR2
SCHEMBL17723365 0.70 EGFR (0.39) EGFRMAPKAPK2ESR1MAPTESR2
SCHEMBL21555164 0.68 LDHA (0.41) ALDH1A1GAAHTTCYP1A2CYP3A4
SCHEMBL21734351 0.68 LDHA (0.41) ALDH1A1GAAHTTCYP1A2CYP3A4
SCHEMBL17723402 0.67 CNR1 (0.41) ALDH1A1GAAHTTPSEN1PSEN2
SCHEMBL17723405 0.67 CNR1 (0.41) ALDH1A1GAAHTTPSEN1PSEN2

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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 — — 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP EGFR 1913/4885MAPKAPK2 2811/4885ALDH1A1 2207/4885

“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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