SCHEMBL3119253

SCHEMBL3119253

Cc1cccc(CC2Cc3ccccc3CN2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KCNH2 Q12809 1/20 0.43
CXCR4 P61073 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 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
SCHEMBL3124084 0.83 PNMT (0.56) PNMTMEN1KMT2AOPRM1OPRL1
SCHEMBL3124097 0.82 PNMT (0.62) PNMTMEN1KMT2A
SCHEMBL3129933 0.82 PNMT (0.55) PNMTMEN1KMT2AOPRM1OPRL1
SCHEMBL3130633 0.82 PNMT (0.55) PNMTMEN1KMT2AOPRM1OPRL1
SCHEMBL13083684 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL14997331 0.77 PNMT (0.56) PNMTMEN1KMT2AADRA2AADRA2B
SCHEMBL3125553 0.77 PNMT (0.55) PNMTMEN1KMT2ACXCR4
SCHEMBL3119353 0.74 PNMT (0.60) PNMTMEN1KMT2AOPRM1OPRL1
SCHEMBL3128091 0.74 PNMT (0.60) PNMTMEN1KMT2ACXCR4
SCHEMBL3127929 0.74 PNMT (0.56) PNMTOPRM1OPRL1KCNH2CXCR4

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.