SCHEMBL12176203

SCHEMBL12176203

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.44
▸ LIMK2 P53671 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL12176200 0.88 CFD (0.52) CYP2C9
SCHEMBL18609697 0.87 TRPM8 (0.46) NPSR1ALDH1A1UBE2MDCUN1D1CYP1A2
SCHEMBL25133167 0.87 TRPM8 (0.46) NPSR1ALDH1A1UBE2MDCUN1D1CYP1A2
SCHEMBL14959022 0.87 TRPM8 (0.46) NPSR1ALDH1A1UBE2MDCUN1D1CYP1A2
SCHEMBL14959021 0.87 ALDH1A1 (0.56) NPSR1ALDH1A1CYP1A2CYP2C9POLB
SCHEMBL14959038 0.86 ALDH1A1 (0.45) NPSR1ALDH1A1UBE2MDCUN1D1CYP1A2
SCHEMBL18609476 0.86 ALDH1A1 (0.45) NPSR1ALDH1A1UBE2MDCUN1D1CYP1A2
SCHEMBL14960573 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9TSHRKMT2A
SCHEMBL13060130 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9TSHRKMT2A
SCHEMBL18532596 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9TSHRKMT2A

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 8 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-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 (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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885LIMK2 3775/4885ALDH1A1 2966/4885

“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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