SCHEMBL13060067

SCHEMBL13060067

CCOc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TACR1 P25103 2/20 0.36
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36

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
SCHEMBL14959045 0.91 NPSR1 (0.45) RXFP1NPSR1TDP1SMN1; SMN2UBE2M
SCHEMBL13059993 0.91 NPSR1 (0.45) RXFP1NPSR1TDP1SMN1; SMN2UBE2M
SCHEMBL18789914 0.91 NPSR1 (0.45) RXFP1NPSR1TDP1SMN1; SMN2UBE2M
SCHEMBL12176080 0.87 HSD17B10 (0.41) RXFP1NPSR1TDP1GAAUBE2M
SCHEMBL18790219 0.87 HSD17B10 (0.41) RXFP1NPSR1TDP1GAAUBE2M
SCHEMBL18609471 0.87 HSD17B10 (0.41) RXFP1NPSR1TDP1GAAUBE2M
SCHEMBL24016867 0.86 RAB9A (0.41) RXFP1NPSR1TDP1GAASMN1; SMN2
SCHEMBL18609264 0.86 RAB9A (0.41) RXFP1NPSR1TDP1GAASMN1; SMN2
SCHEMBL14959055 0.86 RAB9A (0.41) RXFP1NPSR1TDP1GAASMN1; SMN2
SCHEMBL13060057 0.86 TRPV1 (0.40) RXFP1NPSR1TDP1GAASMN1; SMN2

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 7 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-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 (5 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885NPSR1 138/4885TDP1 4152/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885NPSR1 138/4885TDP1 4152/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885NPSR1 138/4885TDP1 4152/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885NPSR1 138/4885TDP1 4152/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885NPSR1 138/4885TDP1 4152/4885

“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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