SCHEMBL12312005

SCHEMBL12312005

CN1CCc2cccc(C#N)c2[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.56
DRD2 P14416 8/20 0.54
HTR1A P08908 4/20 0.48
HTR7 P34969 2/20 0.48
DRD1 P21728 3/20 0.43
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2794352 0.80 TRPM8 (0.44) DRD2
SCHEMBL27571779 0.80 PRCP (0.62) PRCPDRD2HTR1AHTR7DRD1
SCHEMBL12312001 0.76 PRCP (0.57) PRCPDRD2HTR1AHTR7DRD1
SCHEMBL5244031 0.76 DRD2 (0.46) PRCPDRD2HTR1AHTR7LMNA
SCHEMBL7585522 0.75 PRCP (0.60) PRCPDRD2HTR1AHTR7DRD1
SCHEMBL12337795 0.75 CHRM3 (0.41) DRD2
SCHEMBL25604565 0.72 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL8415128 0.72 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL13928812 0.72 PRCP (1.00) PRCPDRD2DRD1
Iodide SCHEMBL27518895 0.71 PRCP (0.97) PRCPDRD2DRD1

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-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 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 (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-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND CACNA1S, CACNA1E, CACNA1B PRCP 3639/4885DRD2 202/4885HTR1A 68/4885

“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.