SCHEMBL13754339

SCHEMBL13754339

CCc1ccc(C)c(NC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PLK1 P53350 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 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
SCHEMBL13344096 0.83 ESR1 (0.45) TRPA1MAPTCYP1A2CYP2A6CYP3A4
SCHEMBL25665126 0.82 TRPA1 (0.43) TRPA1MAPTCYP1A2CYP2A6NPC1
SCHEMBL8258347 0.81 AOC1 (0.36) CYP3A4TSHRRECQLESR1ESR2
SCHEMBL24220468 0.80 SKP2 (0.53) MAPTCYP1A2CYP3A4TSHRNPC1
SCHEMBL18013071 0.79 CYP3A4 (0.37) MAPTCYP3A4TSHRRECQLALOX5
SCHEMBL23424906 0.79 TSHR (0.37) MAPTCYP3A4TSHRRECQLNPC1
SCHEMBL20372978 0.78 ESR1 (0.39) MAPTCYP1A2CYP3A4TSHRNPC1
SCHEMBL4432091 0.78 MAPT (0.44) MAPTCYP1A2CYP3A4TSHRRECQL
SCHEMBL18123540 0.77 TRPA1 (0.39) TRPA1MAPTCYP1A2CYP2A6NPC1
SCHEMBL24524710 0.77 GAA (0.41) TRPA1MAPTCYP1A2CYP2A6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
WO-2023168240-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-07 — — WO disclosed
WO-2023109254-A1 METHOD FOR ONE-STEP DIRECT PREPARATION OF 3-ACYL IMIDAZO[1,5-A]PYRIDINE BY MEANS OF [4+1] DUAL AMINATION REACTIONS OF KETOMETHYL 安徽科技学院 2023-06-22 — — WO disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 — — WO 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 TRPA1 4159/4885MAPT 845/4885CYP1A2 4076/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPA1 4387/4885MAPT 279/4885CYP1A2 3408/4885

“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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