SCHEMBL12176191

SCHEMBL12176191

Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ UBE2M P61081 3/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.41
▸ GAA P10253 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 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
SCHEMBL18532606 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL18790105 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12074050 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12176383 0.95 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL18609471 0.94 HSD17B10 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL18790219 0.94 HSD17B10 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12176122 0.94 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12176080 0.94 HSD17B10 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL14959034 0.94 EPHX2 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL18790108 0.94 EPHX2 (0.41) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M

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 15 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
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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 (8 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 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885CYP1A2 2891/4885CYP2C9 2859/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2882/4885CYP1A2 2361/4885CYP2C9 2216/4885

“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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