SCHEMBL12176345

SCHEMBL12176345

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL18609357 1.00 RXFP1 (0.43) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL14959037 1.00 RXFP1 (0.43) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL13326616 1.00 RXFP1 (0.43) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL12176081 0.99 RXFP1 (0.45) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL14959048 0.94 EPHX2 (0.41) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL12176571 0.94 EPHX2 (0.41) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL18609263 0.94 EPHX2 (0.41) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL12176321 0.93 CYP1A2 (0.40) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL14959036 0.93 CYP1A2 (0.40) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1
SCHEMBL18790109 0.93 CYP1A2 (0.40) RXFP1CYP1A2CYP2C9EPHX2ALDH1A1

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
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
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

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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885CYP1A2 2891/4885CYP2C9 2859/4885

“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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