SCHEMBL6701299

SCHEMBL6701299

O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)cc1N1CCCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.43
KCNH2 Q12809 1/20 0.43
CCNC P24863 7/20 0.40
CDK8 P49336 7/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 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
SCHEMBL6700088 0.97 OPRD1 (0.43) OPRD1KCNH2CCNCCDK8LMNA
SCHEMBL6701991 0.91 OPRD1 (0.47) OPRD1CCNCCDK8
SCHEMBL6701774 0.90 KDM4E (0.47) OPRD1KCNH2CCNCCDK8MAPT
SCHEMBL6701730 0.84 KMT2A (0.48) OPRD1CCNCCDK8MAPTLMNA
SCHEMBL6698658 0.82 KMT2A (0.50) OPRD1CCNCCDK8GAAMAPT
SCHEMBL6701834 0.81 TSHR (0.47) OPRD1CCNCCDK8MAPTLMNA
SCHEMBL6689954 0.80 MAPT (0.49) OPRD1GAAMAPTLMNATP53
SCHEMBL6700551 0.79 HTT (0.52) OPRD1GAAMAPTNPSR1TSHR
SCHEMBL6690090 0.79 OPRD1 (0.43) OPRD1KCNH2USP2CYP1A2CYP3A4
SCHEMBL6696335 0.78 ALDH1A1 (0.49) OPRD1GAAMAPTLMNATP53

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 OPRD1 1606/4885KCNH2 2756/4885CCNC 785/4885

“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.