SCHEMBL12176097

SCHEMBL12176097

CC(C)(C)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ UBE2M P61081 2/20 0.40
▸ DCUN1D1 Q96GG9 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RHOA P61586 1/20 0.37
▸ TACR1 P25103 2/20 0.37

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
SCHEMBL12176050 0.93 HSD17B10 (0.44) PREPNPSR1HSD17B10USP2RXFP1
SCHEMBL12176578 0.92 ALDH1A1 (0.44) PREPNPSR1HSD17B10RXFP1MEN1
SCHEMBL12176053 0.92 PREP (0.42) PREPNPSR1RXFP1MEN1KMT2A
SCHEMBL12176039 0.91 HSD17B10 (0.46) NPSR1HSD17B10USP2RXFP1UBE2M
SCHEMBL14959042 0.91 HSD17B10 (0.46) NPSR1HSD17B10USP2RXFP1UBE2M
SCHEMBL15088232 0.90 NPSR1 (0.46) PREPNPSR1RXFP1UBE2MDCUN1D1
SCHEMBL15088274 0.90 NPSR1 (0.44) NPSR1HSD17B10USP2RXFP1UBE2M
SCHEMBL13060070 0.88 RXFP1 (0.42) PREPNPSR1HSD17B10USP2RXFP1
SCHEMBL24016954 0.87 HSD17B10 (0.40) NPSR1HSD17B10USP2RXFP1UBE2M
SCHEMBL18609272 0.87 HSD17B10 (0.40) NPSR1HSD17B10USP2RXFP1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US 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 (6 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 PREP 597/4885NPSR1 138/4885HSD17B10 4597/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 PREP 597/4885NPSR1 138/4885HSD17B10 4597/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 PREP 597/4885NPSR1 138/4885HSD17B10 4597/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 PREP 597/4885NPSR1 138/4885HSD17B10 4597/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 PREP 597/4885NPSR1 138/4885HSD17B10 4597/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 PREP 597/4885NPSR1 138/4885HSD17B10 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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