SCHEMBL3125014

SCHEMBL3125014

c1ccc(CCCC2Cc3ccccc3CN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRIN2B Q13224 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
PRCP P42785 1/20 0.45

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
SCHEMBL3129926 0.90 PNMT (0.59) PNMTMEN1KMT2AGRIN2BPRCP
SCHEMBL8853548 0.82 PNMT (0.71) PNMTPRCP
SCHEMBL8853554 0.82 PNMT (0.71) PNMTPRCP
SCHEMBL3124097 0.80 PNMT (0.62) PNMTMEN1KMT2APRCP
SCHEMBL31341430 0.78 MEN1 (0.39) PNMTMEN1KMT2A
SCHEMBL31341425 0.78 MEN1 (0.39) PNMTMEN1KMT2A
SCHEMBL26689446 0.77 PNMT (0.56) PNMT
SCHEMBL28923974 0.77 GRIN2B (0.44) GRIN2BSIGMAR1
SCHEMBL31341417 0.77 PNMT (0.37) PNMTMEN1KMT2A
SCHEMBL3127693 0.76 PNMT (0.54) PNMTPRCP

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
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
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 1739/4885MEN1 2946/4885KMT2A 3570/4885

“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.