SCHEMBL2604444

SCHEMBL2604444

C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1C(=O)Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.67
OPRL1 P41146 10/20 0.67
OPRK1 P41145 9/20 0.67
ACHE P22303 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL10264706 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1ACHESIGMAR1
SCHEMBL1861481 1.00 OPRM1 (0.67) OPRM1OPRL1OPRK1ACHESIGMAR1
SCHEMBL1859445 0.83 OPRM1 (0.49) OPRM1OPRL1OPRK1
SCHEMBL1860091 0.82 OPRM1 (0.68) OPRM1OPRL1OPRK1KCNH2
SCHEMBL181682 0.80 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL2604442 0.76 ACHE (0.41) OPRM1OPRL1OPRK1ACHESIGMAR1
SCHEMBL10265601 0.76 ACHE (0.41) OPRM1OPRL1OPRK1ACHESIGMAR1
SCHEMBL1860712 0.75 OPRM1 (0.50) OPRM1OPRL1OPRK1
SCHEMBL1859464 0.74 OPRL1 (0.86) OPRM1OPRL1OPRK1
SCHEMBL1855430 0.73 OPRL1 (0.73) OPRM1OPRL1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 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-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRM1 8/4885OPRL1 1/4885OPRK1 5/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRM1 8/4885OPRL1 1/4885OPRK1 5/4885

“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.