SCHEMBL15088271

SCHEMBL15088271

Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ UBE2M P61081 3/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL18609695 0.95 HSD17B10 (0.46) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL24016857 0.95 HSD17B10 (0.46) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL14959019 0.95 HSD17B10 (0.46) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL12176580 0.92 RXFP1 (0.45) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL12176062 0.91 RXFP1 (0.42) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL13060070 0.91 RXFP1 (0.42) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL18532606 0.90 ALDH1A1 (0.43) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL12176191 0.90 ALDH1A1 (0.43) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL12074050 0.90 ALDH1A1 (0.43) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1
SCHEMBL18790105 0.90 ALDH1A1 (0.43) RXFP1HSD17B10ALDH1A1UBE2MDCUN1D1

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 5 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

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

For each of this compound's patents that has machine-readable text (3 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 RXFP1 911/4885HSD17B10 4597/4885ALDH1A1 2966/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885HSD17B10 4597/4885ALDH1A1 2966/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885HSD17B10 4597/4885ALDH1A1 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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