SCHEMBL14959034

SCHEMBL14959034

Cc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ UBE2M P61081 2/20 0.39
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL17805395 1.00 EPHX2 (0.41) EPHX2GAAALDH1A1MAPK1CYP1A2
SCHEMBL18790108 1.00 EPHX2 (0.41) EPHX2GAAALDH1A1MAPK1CYP1A2
SCHEMBL18609353 1.00 EPHX2 (0.41) EPHX2GAAALDH1A1MAPK1CYP1A2
SCHEMBL18532606 0.94 ALDH1A1 (0.43) EPHX2GAAALDH1A1CYP1A2CYP2C9
SCHEMBL12176191 0.94 ALDH1A1 (0.43) EPHX2GAAALDH1A1CYP1A2CYP2C9
SCHEMBL12074050 0.94 ALDH1A1 (0.43) EPHX2GAAALDH1A1CYP1A2CYP2C9
SCHEMBL18790105 0.94 ALDH1A1 (0.43) EPHX2GAAALDH1A1CYP1A2CYP2C9
SCHEMBL25132815 0.91 HCRTR1 (0.46) ALDH1A1MAPK1CYP2C9USP2NPSR1
SCHEMBL13060072 0.91 ALDH1A1 (0.38) EPHX2GAAALDH1A1MAPK1CYP1A2
SCHEMBL24016934 0.91 HCRTR1 (0.46) ALDH1A1MAPK1CYP2C9USP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
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-20150141425-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2015-05-21 — — 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
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 (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-20150141425-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885GAA 4630/4885ALDH1A1 2966/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885GAA 4630/4885ALDH1A1 2966/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885GAA 4630/4885ALDH1A1 2966/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1684/4885GAA 4630/4885ALDH1A1 2966/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 EPHX2 1540/4885GAA 4406/4885ALDH1A1 2882/4885

“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