SCHEMBL3609218

SCHEMBL3609218

CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.70
MTNR1B P49286 3/20 0.53
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
DRD1 P21728 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
HHAT Q5VTY9 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
SCHEMBL22494094 0.93 ACE (0.61) ACEMTNR1B
SCHEMBL22525292 0.92 ACE (0.59) ACEMTNR1B
SCHEMBL9221105 0.88 ACE (0.68) ACEMTNR1B
SCHEMBL3612165 0.84 ACE (0.50) ACEMTNR1BHHAT
SCHEMBL9774154 0.84 ACE (0.71) ACE
SCHEMBL11119714 0.84 MTNR1B (0.56) ACEMTNR1BHDAC3HDAC1HDAC10
SCHEMBL11086875 0.82 ACE (1.00) ACEMTNR1BHDAC3HDAC1HDAC10
SCHEMBL7652188 0.82 MTNR1B (0.54) ACEMTNR1BHDAC3HDAC1HDAC10
SCHEMBL3605252 0.82 GAA (0.49) ACEMTNR1B
SCHEMBL22494121 0.81 ACE (0.60) ACE

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 ACE 166/4885MTNR1B 2142/4885HDAC3 135/4885

“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.