SCHEMBL12176580

SCHEMBL12176580

Cc1c(Cl)cccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KCNJ6 P48051 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL15088271 0.92 RXFP1 (0.44) RXFP1ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL24016857 0.91 HSD17B10 (0.46) RXFP1ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL18609695 0.91 HSD17B10 (0.46) RXFP1ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL14959019 0.91 HSD17B10 (0.46) RXFP1ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL12176062 0.91 RXFP1 (0.42) RXFP1KCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL13060070 0.91 RXFP1 (0.42) RXFP1ALDH1A1HSD17B10PRMT5WDR77
SCHEMBL18790198 0.90 P2RX1 (0.43) RXFP1ALDH1A1ACKR3KMT2AP2RX1
SCHEMBL13059322 0.90 P2RX1 (0.43) RXFP1ALDH1A1ACKR3KMT2AP2RX1
SCHEMBL14959050 0.90 P2RX1 (0.43) RXFP1ALDH1A1ACKR3KMT2AP2RX1
SCHEMBL12176054 0.89 RXFP1 (0.41) RXFP1ALDH1A1PRMT5WDR77LMNA

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 RXFP1 911/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885KCNJ6 3812/4885KCNJ5 3270/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 911/4885KCNJ6 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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