SCHEMBL15088254

SCHEMBL15088254

Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2c2ccc(CCC(C)(C)O)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ ACKR3 P25106 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ GIPR P48546 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ EPHA3 P29320 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL13060144 0.93 EPHX2 (0.38) EPHX2ACKR3USP2GAARXFP1
SCHEMBL17805408 0.93 ACKR3 (0.39) ACKR3RXFP1ALDH1A1GCGRGIPR
SCHEMBL18790160 0.93 ACKR3 (0.39) ACKR3RXFP1ALDH1A1GCGRGIPR
SCHEMBL14960520 0.93 ACKR3 (0.39) ACKR3RXFP1ALDH1A1GCGRGIPR
SCHEMBL14960509 0.92 RXFP1 (0.42) ACKR3USP2GAARXFP1ALDH1A1
SCHEMBL13327392 0.92 RXFP1 (0.42) ACKR3USP2GAARXFP1ALDH1A1
SCHEMBL18790161 0.92 RXFP1 (0.42) ACKR3USP2GAARXFP1ALDH1A1
SCHEMBL15088237 0.91 RXFP1 (0.37) EPHX2ACKR3USP2GAARXFP1
SCHEMBL13059992 0.88 ALDH1A1 (0.46) EPHX2ACKR3GAARXFP1ALDH1A1
SCHEMBL18789915 0.88 ALDH1A1 (0.46) EPHX2ACKR3GAARXFP1ALDH1A1

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 EPHX2 1684/4885ACKR3 105/4885USP2 3279/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885ACKR3 105/4885USP2 3279/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885ACKR3 105/4885USP2 3279/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885ACKR3 105/4885USP2 3279/4885

“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.

Send feedback