SCHEMBL15088237

SCHEMBL15088237

Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ GIPR P48546 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ACKR3 P25106 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ RHOA P61586 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL21163857 0.95 MAPK14 (0.37) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL14960519 0.95 MAPK14 (0.37) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL18790204 0.95 MAPK14 (0.37) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL17805437 0.95 MAPK14 (0.37) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL18790161 0.94 RXFP1 (0.42) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL13327392 0.94 RXFP1 (0.42) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL14960509 0.94 RXFP1 (0.42) RXFP1UBE2MDCUN1D1ALDH1A1CYP1A2
SCHEMBL15088254 0.91 EPHX2 (0.39) RXFP1UBE2MDCUN1D1ALDH1A1GCGR
SCHEMBL20879839 0.90 GCGR (0.39) RXFP1UBE2MDCUN1D1ALDH1A1GCGR
SCHEMBL18790138 0.90 GCGR (0.39) RXFP1UBE2MDCUN1D1ALDH1A1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885UBE2M 4268/4885DCUN1D1 1926/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885UBE2M 4268/4885DCUN1D1 1926/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885UBE2M 4268/4885DCUN1D1 1926/4885

“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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