SCHEMBL16038281

SCHEMBL16038281

Oc1ccc2c(c1O)CCNC2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.47
PNMT P11086 5/20 0.45
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ASIC3 Q9UHC3 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
Bromide SCHEMBL16037813 0.98 CD44 (0.46) CD44PNMTACHEMAOBADRA2A
SCHEMBL23036826 0.84 PNMT (0.57) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL30578819 0.84 PNMT (0.57) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL9197082 0.81 PNMT (0.37) PNMTACHE
SCHEMBL16038610 0.81 HTR2C (0.45) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL3057424 0.81 CD44 (0.44) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL23683891 0.81 PNMT (0.46) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL22993478 0.81 HTR2A (0.50) CD44PNMTADRA2AADRA2BADRA2C
Bromide SCHEMBL17583924 0.79 HTR2A (0.49) CD44PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL16039224 0.79 HTR2C (0.44) CD44PNMTMAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713615-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS Ocuphire Pharma, Inc. 2016-05-19 US disclosed
EP-2970203-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS Rexahn Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-9193707-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
WO-2014143960-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 US 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 (2 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-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 CD44 4882/4885PNMT 2145/4885ACHE 4617/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 CD44 4882/4885PNMT 2145/4885ACHE 4617/4885

“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.