SCHEMBL13060049

SCHEMBL13060049

Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PREP P48147 1/20 0.34
▸ TSHR P16473 2/20 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
SCHEMBL21163759 1.00 NPSR1 (0.37) NPSR1TDP1HSD17B10UBE2MDCUN1D1
SCHEMBL12176612 1.00 NPSR1 (0.37) NPSR1TDP1HSD17B10UBE2MDCUN1D1
SCHEMBL12176555 0.94 CYP1A2 (0.38) NPSR1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL12176598 0.94 DCUN1D1 (0.44) HSD17B10UBE2MDCUN1D1EPHX2OPRK1
SCHEMBL12075004 0.94 DCUN1D1 (0.44) HSD17B10UBE2MDCUN1D1EPHX2OPRK1
SCHEMBL12176439 0.94 DCUN1D1 (0.44) HSD17B10UBE2MDCUN1D1EPHX2OPRK1
SCHEMBL12176215 0.93 HSD17B10 (0.36) NPSR1TDP1HSD17B10UBE2MDCUN1D1
SCHEMBL12176560 0.91 MAPT (0.39) NPSR1TDP1HSD17B10UBE2MDCUN1D1
SCHEMBL12176221 0.91 ACKR3 (0.38) NPSR1TDP1HSD17B10UBE2MDCUN1D1
SCHEMBL13060010 0.91 EPHX2 (0.37) HSD17B10UBE2MDCUN1D1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HSD17B10 4597/4885

“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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