SCHEMBL12176263

SCHEMBL12176263

Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2C2C=CC=CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL12176567 0.95 HSD17B10 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176579 0.92 RXFP1 (0.38) RXFP1HSD17B10UBE2MDCUN1D1LMNA
SCHEMBL13059090 0.92 RXFP1 (0.38) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176555 0.92 CYP1A2 (0.38) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176597 0.90 EPHX2 (0.41) RXFP1CYP1A2CYP2C9LMNAALDH1A1
SCHEMBL12176041 0.90 P2RX1 (0.40) RXFP1LMNAALDH1A1SMN1; SMN2ACKR3
SCHEMBL13059324 0.88 HSD17B10 (0.41) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176612 0.88 NPSR1 (0.37) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL21163759 0.88 NPSR1 (0.37) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176040 0.88 CYP1A2 (0.36) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2

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 2 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

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 911/4885HSD17B10 4597/4885UBE2M 4268/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885HSD17B10 4597/4885UBE2M 4268/4885

“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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