SCHEMBL18532597

SCHEMBL18532597

O=C(Nc1ccc2c(c1)CCC2)C1CCCN(C(=O)c2c(F)cccc2F)C1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ NPC1 O15118 13/20 0.50
▸ RAB9A P51151 13/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HTT P42858 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL14959026 1.00 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL12175990 1.00 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL14960572 1.00 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL19151892 0.88 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19130867 0.88 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24522239 0.88 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14959017 0.88 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12176559 0.88 KMT2A (0.54) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17805413 0.87 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL25132816 0.87 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2HTT

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
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 — — EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 — — 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 4442/4885NPC1 2134/4885RAB9A 2420/4885

“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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