SCHEMBL12176554

SCHEMBL12176554

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)C)c2)C1[C@@H]1C=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL12176000 0.89 ALDH1A1 (0.45) LMNACYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL13060052 0.88 CYP1A2 (0.39) LMNACYP1A2CYP2C9ALDH1A1GAA
SCHEMBL12176605 0.88 CYP1A2 (0.39) LMNACYP1A2CYP2C9ALDH1A1GAA
SCHEMBL12176555 0.87 CYP1A2 (0.38) LMNACYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL12176320 0.86 UBE2M (0.46) LMNAKMT2AALDH1A1RXFP1MAPT
SCHEMBL13060132 0.85 ALDH1A1 (0.37) LMNACYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL12176304 0.85 ALDH1A1 (0.37) LMNACYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL18532609 0.84 TRPM8 (0.44) TRPM8TRPV1LMNACYP1A2CYP2C9
SCHEMBL13059343 0.84 CFD (0.49) CYP2C9
SCHEMBL12176562 0.83 GAA (0.43) CYP1A2CYP2C9KMT2AALDH1A1GAA

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
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 — — 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 (3 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-20100160320-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 TRPM8 1347/4885TRPV1 830/4885LMNA 2969/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 TRPM8 1347/4885TRPV1 830/4885LMNA 2969/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 TRPM8 1347/4885TRPV1 830/4885LMNA 2969/4885

“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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