SCHEMBL4937159

SCHEMBL4937159

CCN(CC)C(=O)c1ccc(C(c2ccc(Br)cc2)N2CCN(Cc3ccccc3F)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
OPRM1 P35372 5/20 0.58
OPRK1 P41145 3/20 0.58

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
SCHEMBL4927917 0.87 MEN1 (0.57) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL9925789 0.87 OPRD1 (0.59) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL9925786 0.87 OPRD1 (0.59) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL72111 0.86 OPRD1 (0.58) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL72110 0.86 OPRD1 (0.58) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL4936331 0.86 OPRD1 (0.68) OPRD1ATMOPRM1OPRK1
SCHEMBL4934169 0.84 OPRD1 (0.65) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL4935999 0.77 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL16225604 0.74 KMT2A (0.86) OPRD1MEN1KMT2AATMOPRM1
SCHEMBL5273810 0.73 OPRD1 (0.64) OPRD1OPRM1OPRK1

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-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-10-23 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-20080262229-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRM1, OPRL1, PTGER2 OPRD1 15/4885MEN1 2362/4885KMT2A 529/4885

“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.