SCHEMBL14959027

SCHEMBL14959027

COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ UBE2M P61081 2/20 0.45
▸ DCUN1D1 Q96GG9 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20879813 1.00 CYP2C9 (0.46) CYP2C9CYP2C19HCRTR1HCRTR2UBE2M
SCHEMBL18532595 0.92 HCRTR1 (0.46) CYP2C9CYP2C19HCRTR1HCRTR2UBE2M
SCHEMBL14959024 0.92 HCRTR1 (0.46) CYP2C9CYP2C19HCRTR1HCRTR2UBE2M
SCHEMBL24016934 0.92 HCRTR1 (0.46) CYP2C9CYP2C19HCRTR1HCRTR2UBE2M
SCHEMBL25132815 0.92 HCRTR1 (0.46) CYP2C9CYP2C19HCRTR1HCRTR2UBE2M
SCHEMBL18609695 0.91 HSD17B10 (0.46) CYP2C9UBE2MDCUN1D1TSHRNPSR1
SCHEMBL24016857 0.91 HSD17B10 (0.46) CYP2C9UBE2MDCUN1D1TSHRNPSR1
SCHEMBL14959019 0.91 HSD17B10 (0.46) CYP2C9UBE2MDCUN1D1TSHRNPSR1
SCHEMBL12176222 0.88 HSD17B10 (0.43) CYP2C9HCRTR1HCRTR2UBE2MDCUN1D1
SCHEMBL12176101 0.88 RXFP1 (0.43) CYP2C9UBE2MDCUN1D1KMT2AHSD17B10

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 13 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-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 (6 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 CYP2C9 2859/4885CYP2C19 2355/4885HCRTR1 154/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP2C9 2859/4885CYP2C19 2355/4885HCRTR1 154/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP2C9 2859/4885CYP2C19 2355/4885HCRTR1 154/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP2C9 2859/4885CYP2C19 2355/4885HCRTR1 154/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP2C9 2859/4885CYP2C19 2355/4885HCRTR1 154/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP2C9 2216/4885CYP2C19 1812/4885HCRTR1 182/4885

“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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