SCHEMBL12176122

SCHEMBL12176122

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KCNJ6 P48051 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ UBE2M P61081 3/20 0.40
▸ DCUN1D1 Q96GG9 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36

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 0.94 ALDH1A1 (0.43) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2
SCHEMBL12176191 0.94 ALDH1A1 (0.43) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2
SCHEMBL18790105 0.94 ALDH1A1 (0.43) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2
SCHEMBL12074050 0.94 ALDH1A1 (0.43) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2
SCHEMBL12176193 0.91 EPHX2 (0.37) ALDH1A1KCNJ6KCNJ5KCNJ3RXFP1
SCHEMBL24016867 0.91 RAB9A (0.41) ALDH1A1KCNJ6KCNJ5KCNJ3RXFP1
SCHEMBL18609264 0.91 RAB9A (0.41) ALDH1A1KCNJ6KCNJ5KCNJ3RXFP1
SCHEMBL14959055 0.91 RAB9A (0.41) ALDH1A1KCNJ6KCNJ5KCNJ3RXFP1
SCHEMBL18790219 0.90 HSD17B10 (0.41) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2
SCHEMBL12176080 0.90 HSD17B10 (0.41) ALDH1A1RXFP1UBE2MDCUN1D1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 2966/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885KCNJ6 3812/4885KCNJ5 3270/4885

“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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