SCHEMBL17585128

SCHEMBL17585128

C[C@H](N)c1ccc(CN2CCc3cc(OCC4CCC4)ccc3C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.73

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
SCHEMBL17585131 0.96 ACACB (0.72) ACACB
SCHEMBL3730360 0.90 ACACB (0.66) ACACB
SCHEMBL17585126 0.88 ACACB (0.73) ACACB
SCHEMBL23774220 0.87 ACACB (0.66) ACACB
SCHEMBL17585129 0.86 ACACB (0.73) ACACB
SCHEMBL17585132 0.84 ACACB (0.73) ACACB
SCHEMBL17585122 0.84 ACACB (0.73) ACACB
SCHEMBL17585130 0.84 ACACB (0.70) ACACB
SCHEMBL17585164 0.84 ACACB (1.00) ACACB
SCHEMBL23774228 0.84 ACACB (0.67) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 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-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof QDPR, RECQL, TPMT ACACB 4580/4885

“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.