SCHEMBL2793074

SCHEMBL2793074

Brc1ccc2c(c1)[C@H](C1CCCCC1)NCC2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.63
HTR2A P28223 7/20 0.48
HTR2C P28335 7/20 0.48
HTR2B P41595 1/20 0.48
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
PNMT P11086 2/20 0.39
ASIC3 Q9UHC3 1/20 0.39
KDM1A O60341 2/20 0.38
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ADRA2A P08913 1/20 0.35

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
Hydrochloric Acid SCHEMBL2795462 0.87 PRCP (0.61) PRCPHTR2AHTR2CHTR2BF2
Hydrochloric Acid SCHEMBL2794373 0.81 PRCP (0.61) PRCPHTR2AHTR2CHTR2BF2
SCHEMBL2795999 0.78 PRCP (1.00) PRCP
SCHEMBL1011373 0.78 PRCP (1.00) PRCP
SCHEMBL2793867 0.78 PRCP (1.00) PRCP
SCHEMBL29768302 0.78 PRCP (1.00) PRCP
SCHEMBL18322101 0.76 PNMT (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL2790424 0.76 PRCP (0.97) PRCP
SCHEMBL3865487 0.76 PRCP (0.97) PRCP
SCHEMBL7854616 0.73 MAOA (0.60) PRCP

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-2149560-B1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-13 EP disclosed
EP-2149560-B1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-13 EP disclosed
US-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 US disclosed
US-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 US disclosed
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
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2149560-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
EP-2149560-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2010-02-03 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-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND CACNA1S, CACNA1E, CACNA1B PRCP 3639/4885HTR2A 96/4885HTR2C 56/4885

“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.