SCHEMBL838209

SCHEMBL838209

Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.50
▸ RAMP1 O60894 11/20 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
SCHEMBL977185 1.00 CALCRL (0.50) CALCRLRAMP1
SCHEMBL978566 1.00 CALCRL (0.50) CALCRLRAMP1
SCHEMBL31039442 1.00 CALCRL (0.50) CALCRLRAMP1
Trifluoroacetic Acid SCHEMBL837743 0.91 CALCRL (0.51) CALCRLRAMP1
SCHEMBL29550041 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL22110811 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL979404 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL976476 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL31126001 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL260524 0.85 CALCA (0.50) CALCRLRAMP1

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 — — US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 — — US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 — — US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 — — EP disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 — — WO disclosed
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 — — EP disclosed
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 — — EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 — — EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 — — EP disclosed
WO-2008153852-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 — — WO disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 — — WO disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 — — WO disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 — — WO disclosed
WO-2008073251-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-19 — — WO disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 — — WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 — — WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 — — 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 (3 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 CALCRL 9/4885RAMP1 59/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 CALCRL 9/4885RAMP1 59/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCRL 2/4885RAMP1 70/4885

“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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