SCHEMBL12176555

SCHEMBL12176555

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ USP2 O75604 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
SCHEMBL12176612 0.94 NPSR1 (0.37) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL12176040 0.94 CYP1A2 (0.36) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL21163759 0.94 NPSR1 (0.37) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL13060049 0.94 NPSR1 (0.37) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL13060010 0.94 EPHX2 (0.37) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL12176567 0.93 HSD17B10 (0.42) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL12176607 0.93 HTR1A (0.38) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL12176320 0.92 UBE2M (0.46) RXFP1UBE2MDCUN1D1ALDH1A1MAPT
SCHEMBL12176263 0.92 RXFP1 (0.39) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1
SCHEMBL13059090 0.90 RXFP1 (0.38) CYP1A2CYP2C9RXFP1UBE2MDCUN1D1

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

“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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