SCHEMBL14927052

SCHEMBL14927052

COc1c(CCNC(C)=O)cccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.61
▸ MTNR1B P49286 7/20 0.61
▸ BCHE P06276 3/20 0.51
▸ ABCB1 P08183 2/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL18183654 0.88 MTNR1A (0.59) MTNR1AMTNR1BBCHETAAR1
SCHEMBL1009815 0.84 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL12071546 0.81 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL5017858 0.79 FABP4 (0.59) BCHEABCB1ABCG2
SCHEMBL19692664 0.79 MTNR1A (0.51) MTNR1AMTNR1BBRD4TAAR1
SCHEMBL32661221 0.79 MTNR1A (0.51) MTNR1AMTNR1BBRD4TAAR1
SCHEMBL16210197 0.78 KMT2A (0.68) MTNR1AMTNR1B
SCHEMBL17583904 0.78 ABCB1 (0.58) BCHEABCB1ABCG2TAAR1
SCHEMBL1010724 0.77 MTNR1A (1.00) MTNR1AMTNR1BTAAR1
SCHEMBL30028243 0.77 MTNR1A (0.86) MTNR1AMTNR1BBCHEABCB1ABCG2

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 11 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
EP-3194367-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES Boehringer Ingelheim International GmbH (DE) 2017-07-26 — — 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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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 (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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 MTNR1A 1415/4885MTNR1B 1904/4885BCHE 3071/4885
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof QDPR, RECQL, TPMT MTNR1A 353/4885MTNR1B 182/4885BCHE 1194/4885

“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.

Send feedback