SCHEMBL7090592

SCHEMBL7090592

CCN(CC)C(=O)c1cccc([C@H](c2cccc(OC)c2)N2CC(C)N(Cc3cccc(O)c3)C[C@@H]2C)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.67
CYP1A2 P05177 2/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
OPRD1 P41143 2/20 0.64
CYP2D6 P10635 2/20 0.64
LMNA P02545 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
MAPT P10636 1/20 0.64
OPRM1 P35372 1/20 0.64
OPRK1 P41145 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NFKB1 P19838 1/20 0.64

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
SCHEMBL4576940 1.00 CYP3A4 (0.67) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL5143590 1.00 CYP3A4 (0.67) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL14719710 1.00 CYP3A4 (0.67) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL12018132 1.00 CYP3A4 (0.67) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL4591649 0.97 CYP3A4 (0.65) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL4591652 0.97 CYP3A4 (0.65) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL4576600 0.95 CYP3A4 (0.71) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL14441045 0.95 CYP3A4 (0.71) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL5143557 0.95 CYP3A4 (0.71) CYP3A4CYP1A2MEN1KMT2AOPRD1
SCHEMBL5953842 0.93 CYP3A4 (0.68) CYP3A4CYP1A2MEN1KMT2AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds CHANG KWEN-JEN (US) 2013-02-28 US disclosed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 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 (2 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-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 CYP3A4 804/4885CYP1A2 656/4885MEN1 4868/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 CYP3A4 804/4885CYP1A2 656/4885MEN1 4868/4885

“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.