SCHEMBL14960577

SCHEMBL14960577

Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ UBE2M P61081 3/20 0.40
▸ DCUN1D1 Q96GG9 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PREP P48147 1/20 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
SCHEMBL12176123 1.00 RXFP1 (0.42) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL12176033 1.00 RXFP1 (0.42) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL24522292 1.00 RXFP1 (0.42) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL12176570 1.00 RXFP1 (0.42) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL18609263 0.99 EPHX2 (0.41) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL14959048 0.99 EPHX2 (0.41) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL12176571 0.99 EPHX2 (0.41) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL12176204 0.94 HSD17B10 (0.45) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL12176081 0.94 RXFP1 (0.45) RXFP1EPHX2HSD17B10UBE2MDCUN1D1
SCHEMBL18609357 0.93 RXFP1 (0.43) RXFP1EPHX2HSD17B10UBE2MDCUN1D1

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
EP-3078658-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2016-10-12 — — EP disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
EP-2381778-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2016-06-08 — — EP disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-8906938-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2014-12-09 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — 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 (2 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-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885EPHX2 1684/4885HSD17B10 4597/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885EPHX2 1684/4885HSD17B10 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.

Send feedback