SCHEMBL2065240

SCHEMBL2065240

[CH]1CSCCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
TSHR P16473 1/20 0.33
CES1 P23141 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL128877 0.77 ACHE (0.31) TSHR
SCHEMBL4860332 0.73 TSHR (0.53) MAOBTSHRCES1HTR2C
SCHEMBL7334563 0.73 TSHR (0.53) MAOBTSHRCES1HTR2C
SCHEMBL2680 0.69
SCHEMBL128538 0.68 MAOB (0.38) MAOBKDM1ATSHRCES1HTR2C
SCHEMBL255957 0.67 TSHR (0.46) MAOBTSHRCES1TNKS2HTR2C
SCHEMBL29263188 0.67 MAOB (0.40) MAOBKDM1ATSHRCES1HTR2C
SCHEMBL7065099 0.65 TSHR (0.57) MAOBTSHRCES1HTR2C
SCHEMBL19630481 0.65 TSHR (0.50) MAOBKDM1ATSHRHTR2C
SCHEMBL7062020 0.64 TSHR (0.62) MAOBKDM1ATSHRCES1HTR2C

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-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP claimed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US claimed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US claimed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-4739066-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL MAOB 536/4885KDM1A 3258/4885TSHR 725/4885

“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.