SCHEMBL3130633

SCHEMBL3130633

Fc1cccc(CC2Cc3ccccc3CN2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.55
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PLG P00747 1/20 0.41

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
SCHEMBL3119353 0.83 PNMT (0.60) PNMTOPRM1OPRL1KCNH2MEN1
SCHEMBL3124097 0.82 PNMT (0.62) PNMTMEN1KMT2A
SCHEMBL3119253 0.82 PNMT (0.51) PNMTOPRM1OPRL1KCNH2MEN1
SCHEMBL3129933 0.82 PNMT (0.55) PNMTOPRM1OPRL1KCNH2MEN1
SCHEMBL3129776 0.82 PNMT (0.47) PNMTOPRM1OPRL1KCNH2MEN1
SCHEMBL3120052 0.78 PNMT (0.54) PNMTOPRM1OPRL1KCNH2
SCHEMBL13522016 0.77 PLG (0.40) PLG
SCHEMBL3125553 0.77 PNMT (0.55) PNMTMEN1KMT2A
SCHEMBL5568958 0.76 PNMT (0.51) PNMTOPRM1OPRL1KCNH2
SCHEMBL5568961 0.76 PNMT (0.51) PNMTOPRM1OPRL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 PNMT 1739/4885OPRM1 394/4885OPRL1 165/4885

“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.