SCHEMBL18532607

SCHEMBL18532607

Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ USP2 O75604 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NPC1 O15118 10/20 0.47
▸ RAB9A P51151 10/20 0.47
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL25132757 0.90 KMT2A (0.53) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL25132816 0.89 KMT2A (0.52) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL19151892 0.88 KMT2A (0.54) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL14959017 0.88 KMT2A (0.54) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL12176559 0.88 KMT2A (0.54) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL24522239 0.88 KMT2A (0.54) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL19130867 0.88 KMT2A (0.54) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL12176426 0.87 KMT2A (0.53) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL12176226 0.87 KMT2A (0.53) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL20879814 0.84 ALDH1A1 (0.53) KMT2ALMNASMN1; SMN2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP 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

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

For each of this compound's patents that has machine-readable text (1 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 KMT2A 4442/4885USP2 3279/4885RXFP1 911/4885

“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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