SCHEMBL3605252

SCHEMBL3605252

CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ACE P12821 1/20 0.47
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.44
MTNR1B P49286 2/20 0.44
CCR1 P32246 1/20 0.43
CYP2D6 P10635 4/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL3612165 0.95 ACE (0.50) GAAACEKCNH2MTNR1BCCR1
SCHEMBL3609218 0.82 ACE (0.70) ACEMTNR1B
SCHEMBL3604048 0.78 XIAP (0.49) ACEMTNR1B
SCHEMBL3607354 0.78 ACE (0.46) ACEPOLBMAPTTSHRMTNR1B
SCHEMBL3607627 0.77 ACE (0.47) ACEPOLBMAPTTSHRMTNR1B
SCHEMBL22494094 0.76 ACE (0.61) ACEMTNR1B
SCHEMBL3600218 0.76 ACE (0.44) ACEMTNR1B
SCHEMBL3608926 0.76 ACE (0.44) ACEMTNR1B
SCHEMBL3604484 0.76 RORC (0.45) ACEALDH1A1MTNR1B
SCHEMBL11119714 0.76 MTNR1B (0.56) ACEMAPTTSHRMTNR1BCYP2D6

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT GAA 364/4885ACE 166/4885POLB 1766/4885

“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.