SCHEMBL6699286

SCHEMBL6699286

O=C(Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
EPHX2 P34913 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
FASN P49327 2/20 0.42
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6696311 0.92 HTT (0.52) CNR1CNR2GAAHTTNPSR1
SCHEMBL6700073 0.91 HTT (0.51) CNR1CNR2GAAHTTNPSR1
SCHEMBL6699722 0.89 HTT (0.50) CNR1CNR2GAAHTTNPSR1
SCHEMBL6702360 0.89 HTT (0.48) CNR1CNR2GAAHTTNPSR1
SCHEMBL6700551 0.85 HTT (0.52) CNR1CNR2GAAHTTNPSR1
SCHEMBL6701774 0.84 KDM4E (0.47) POLBOPRD1KCNH2ALDH1A1HPGD
SCHEMBL6685459 0.84 NPC1 (0.46) NPC1RAB9APOLBCNR1CNR2
SCHEMBL6698133 0.84 GAA (0.47) CNR1CNR2GAAHTTNPSR1
SCHEMBL6699144 0.83 GAA (0.48) POLBGAAHTTFASNALDH1A1
SCHEMBL6698648 0.82 NPC1 (0.44) NPC1RAB9APOLBCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 US claimed

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 NPC1 1212/4885RAB9A 1555/4885POLB 2032/4885

“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.