SCHEMBL14959054

SCHEMBL14959054

Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2c2ccccc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ GAA P10253 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38

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
SCHEMBL13059992 1.00 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1MAPK1
SCHEMBL18789915 1.00 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1MAPK1
SCHEMBL18609269 1.00 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1MAPK1
SCHEMBL12176578 0.92 ALDH1A1 (0.44) ALDH1A1EPHX2GAARXFP1MAPK1
SCHEMBL14959050 0.92 P2RX1 (0.43) ALDH1A1RXFP1TSHRNR1H4ACKR3
SCHEMBL18790198 0.92 P2RX1 (0.43) ALDH1A1RXFP1TSHRNR1H4ACKR3
SCHEMBL13059322 0.92 P2RX1 (0.43) ALDH1A1RXFP1TSHRNR1H4ACKR3
SCHEMBL24016857 0.92 HSD17B10 (0.46) ALDH1A1GAARXFP1NPSR1TSHR
SCHEMBL18609695 0.92 HSD17B10 (0.46) ALDH1A1GAARXFP1NPSR1TSHR
SCHEMBL14959019 0.92 HSD17B10 (0.46) ALDH1A1GAARXFP1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP 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 ALDH1A1 2966/4885EPHX2 1684/4885GAA 4630/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885EPHX2 1684/4885GAA 4630/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885EPHX2 1684/4885GAA 4630/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885EPHX2 1684/4885GAA 4630/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885EPHX2 1684/4885GAA 4630/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2882/4885EPHX2 1540/4885GAA 4406/4885

“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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