SCHEMBL16624117

SCHEMBL16624117

CC(C)(C)OC(=O)N1Cc2ccc(OCC3CC3)cc2C(O)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.51
ABHD6 Q9BV23 1/20 0.49
CHEK2 O96017 1/20 0.43

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
SCHEMBL17585135 0.96 ACACB (0.52) ACACBABHD6CHEK2
SCHEMBL17615903 0.89 ABHD6 (0.49) ACACBABHD6CHEK2
SCHEMBL17585137 0.88 ACACB (0.52) ACACBABHD6
SCHEMBL17583913 0.88 ACACB (0.51) ACACBABHD6CHEK2
SCHEMBL17993876 0.88 ABHD6 (0.48) ACACBABHD6CHEK2
SCHEMBL18033554 0.88 GPR119 (0.44) ACACB
SCHEMBL17585133 0.86 ACACB (0.53) ACACB
SCHEMBL23774089 0.85 ABHD6 (0.45) ACACBABHD6CHEK2
SCHEMBL16624047 0.85 LIPE (0.48) ACACBABHD6
SCHEMBL16624037 0.85 ACACB (0.41) ACACBABHD6

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 14 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
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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 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-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
WO-2016041845-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-24 WO disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO 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 (2 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 4580/4885ABHD6 2861/4885CHEK2 2689/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H ACACB 3962/4885ABHD6 4475/4885CHEK2 4189/4885

“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.