SCHEMBL6698152

SCHEMBL6698152

O=C(c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(NC(=O)N(S)C(=O)c2ccc(Cl)cc2)c1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
OPRM1 P35372 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
MAOB P27338 1/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPY2R P49146 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR6 P46095 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
SCHEMBL6701834 0.84 TSHR (0.47) OPRD1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL6698150 0.83 NPSR1 (0.51) OPRD1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL5568912 0.81 ALDH1A1 (0.43) ALDH1A1KMT2ANPSR1MEN1HPGD
SCHEMBL6883992 0.81 NPSR1 (0.50) OPRD1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL6702360 0.80 HTT (0.48) NPSR1
SCHEMBL6701730 0.80 KMT2A (0.48) OPRD1ALDH1A1KMT2AMEN1HPGD
SCHEMBL5568497 0.80 OPRD1 (0.49) OPRD1ALDH1A1KMT2AOPRM1MEN1
SCHEMBL29968772 0.80 OPRD1 (0.49) OPRD1ALDH1A1KMT2AOPRM1MEN1
SCHEMBL6699164 0.79 KMT2A (0.47) OPRD1ALDH1A1KMT2AOPRM1MEN1
SCHEMBL6693686 0.79 KMT2A (0.49) OPRD1ALDH1A1KMT2AOPRM1MEN1

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 1606/4885ALDH1A1 1583/4885KMT2A 4455/4885

“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.