SCHEMBL3127693

SCHEMBL3127693

CC(C)CCCC1Cc2ccccc2CN1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.54
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CXCR4 P61073 3/20 0.42
PRCP P42785 1/20 0.40

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
SCHEMBL3127955 0.90 PNMT (0.57) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8853548 0.81 PNMT (0.71) PNMTPRCP
SCHEMBL8853554 0.81 PNMT (0.71) PNMTPRCP
SCHEMBL14591332 0.80 PNMT (0.61) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL14591331 0.80 PNMT (0.61) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3119738 0.80 PNMT (0.61) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL26689446 0.79 PNMT (0.56) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3125014 0.76 PNMT (0.56) PNMTPRCP
SCHEMBL172636 0.76 PNMT (0.69) PNMTPRCP
SCHEMBL14355729 0.76 PNMT (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1739/4885CHRM2 870/4885CHRM4 645/4885

“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.