SCHEMBL7207915

SCHEMBL7207915

Nc1ccc2c(c1)CNCC2.O=C1NCCNC1=O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.50
ADRA2A P08913 3/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL330080 0.88 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL29521679 0.88 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL4517857 0.86 PNMT (0.58) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL3285222 0.86 PNMT (0.58) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL329985 0.81 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL29657674 0.81 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL4514463 0.79 ASIC3 (0.58) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL1948668 0.79 ASIC3 (0.58) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL4718936 0.78 PNMT (0.47) PNMTADRA2AADRA2BADRA2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL6451019 0.78 PNMT (0.73) PNMTADRA2AADRA2BADRA2C

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-6608193-B2 Forming an intermediate by reacting the support-bound amino-substituted-tetrahydroisoquinoline compound with a reagent; and cyclizatively cleaving support-bound amino-substituted-tetrahydroisoquinoline compound THE PROCTER & GAMBLE COMPANY 2003-08-19 US claimed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 US claimed

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-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO PNMT 26/4885ADRA2A 3665/4885ADRA2B 3599/4885

“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.