SCHEMBL6505701

SCHEMBL6505701

Oc1ccc(Cl)c2c1CNC(CN1CCC3(CC1)OCc1ccc(F)cc13)C2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.58
KCNH2 Q12809 6/20 0.58
OPRM1 P35372 6/20 0.57
MCHR1 Q99705 5/20 0.36
AVPR1A P37288 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6505697 1.00 OPRL1 (0.58) OPRL1KCNH2OPRM1MCHR1AVPR1A
SCHEMBL6506703 0.91 OPRL1 (0.47) OPRL1KCNH2OPRM1MCHR1
SCHEMBL6506699 0.91 OPRL1 (0.47) OPRL1KCNH2OPRM1MCHR1
SCHEMBL6502926 0.88 OPRL1 (0.70) OPRL1KCNH2OPRM1AVPR1ASIGMAR1
SCHEMBL6502587 0.85 OPRL1 (0.58) OPRL1KCNH2OPRM1MCHR1SIGMAR1
SCHEMBL6502586 0.85 OPRL1 (0.58) OPRL1KCNH2OPRM1MCHR1SIGMAR1
SCHEMBL6501020 0.80 OPRL1 (0.59) OPRL1KCNH2OPRM1SIGMAR1
SCHEMBL6501015 0.80 OPRL1 (0.59) OPRL1KCNH2OPRM1SIGMAR1
SCHEMBL6472714 0.78 OPRL1 (0.57) OPRL1KCNH2OPRM1
SCHEMBL6471078 0.73 OPRL1 (1.00) OPRL1KCNH2OPRM1SIGMAR1

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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 OPRL1 1/4885KCNH2 378/4885OPRM1 8/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT OPRL1 4418/4885KCNH2 1662/4885OPRM1 4656/4885

“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.