SCHEMBL17583887

SCHEMBL17583887

COc1cccc(CCNC(C)=O)c1F

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.73
▸ MTNR1B P49286 9/20 0.73
▸ HTR2C P28335 1/20 0.53
▸ HTR2B P41595 1/20 0.53

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
SCHEMBL1010724 0.84 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL1009815 0.84 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL21951952 0.78 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL17743971 0.77 POLB (0.49) HTR2C
SCHEMBL16794999 0.76 HTR2A (0.46) MTNR1AMTNR1BHTR2C
Hydrochloric Acid SCHEMBL21951934 0.76 MTNR1A (0.62) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL1010476 0.74 MTNR1A (0.61) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL25236273 0.74 MTNR1A (1.00) MTNR1AMTNR1BHTR2B
SCHEMBL30630329 0.74 MTNR1A (1.00) MTNR1AMTNR1BHTR2B
SCHEMBL27085142 0.74 MTNR1A (1.00) MTNR1AMTNR1BHTR2B

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 5 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-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
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

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 MTNR1A 353/4885MTNR1B 182/4885HTR2C 349/4885

“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.

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