SCHEMBL13060072

SCHEMBL13060072

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ GIPR P48546 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14959062 0.94 HSD17B10 (0.36) ALDH1A1CYP1A2CYP2C9GAARXFP1
SCHEMBL12176193 0.94 EPHX2 (0.37) ALDH1A1CYP1A2CYP2C9GAARXFP1
SCHEMBL12176020 0.94 HSD17B10 (0.36) ALDH1A1CYP1A2CYP2C9GAARXFP1
SCHEMBL13060069 0.93 HTT (0.39) ALDH1A1CYP1A2CYP2C9UBE2MDCUN1D1
SCHEMBL12175994 0.93 HTT (0.39) ALDH1A1CYP1A2CYP2C9UBE2MDCUN1D1
SCHEMBL14959049 0.93 HTT (0.39) ALDH1A1CYP1A2CYP2C9UBE2MDCUN1D1
SCHEMBL18609270 0.93 HTT (0.39) ALDH1A1CYP1A2CYP2C9UBE2MDCUN1D1
SCHEMBL18790108 0.91 EPHX2 (0.41) ALDH1A1CYP1A2CYP2C9GAARXFP1
SCHEMBL14959034 0.91 EPHX2 (0.41) ALDH1A1CYP1A2CYP2C9GAARXFP1
SCHEMBL17805395 0.91 EPHX2 (0.41) ALDH1A1CYP1A2CYP2C9GAARXFP1

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
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-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — 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 (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-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

“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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