SCHEMBL2604437

SCHEMBL2604437

O=C(CCl)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.81
CHRM3 P20309 12/20 0.81
OPRM1 P35372 3/20 0.79
SIGMAR1 Q99720 1/20 0.79
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
KDM4E B2RXH2 1/20 0.66
NPC1 O15118 1/20 0.66
MITF O75030 1/20 0.66
ALDH1A1 P00352 1/20 0.66
RAB9A P51151 1/20 0.66
PAX8 Q06710 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
OPRD1 P41143 3/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA5A P35218 1/20 0.62
CA7 P43166 1/20 0.62

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
SCHEMBL6045571 0.88 OPRM1 (1.00) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL21143168 0.87 SIGMAR1 (0.64) CHRM2CHRM3OPRM1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL29651340 0.87 OPRM1 (0.97) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL27332898 0.86 OPRM1 (0.77) CHRM2CHRM3OPRM1SIGMAR1MEN1
Oxalic Acid SCHEMBL6045624 0.86 OPRM1 (0.95) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL6045443 0.85 CHRM2 (0.83) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL18770884 0.85 MITF (0.71) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL19953554 0.84 ALDH1A1 (0.84) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL31255945 0.84 CHRM2 (1.00) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL15848501 0.84 CHRM2 (0.72) CHRM2CHRM3OPRM1SIGMAR1MEN1

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 10 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-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-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-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-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
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 CHRM2 369/4885CHRM3 301/4885OPRM1 8/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 CHRM2 369/4885CHRM3 301/4885OPRM1 8/4885

“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.