SCHEMBL1892444

SCHEMBL1892444

O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(CCN2CCCC2)C1=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.48
▸ RAMP1 O60894 8/20 0.48
▸ CALCB P10092 1/20 0.42
▸ ADM2 Q7Z4H4 1/20 0.42

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
SCHEMBL1891441 0.79 CALCRL (0.57) CALCRLRAMP1
SCHEMBL1898117 0.78 CALCRL (0.45) CALCRLRAMP1CALCBADM2
SCHEMBL13376820 0.74 CALCRL (0.67) CALCRLRAMP1
SCHEMBL5020138 0.73 CALCRL (0.71) CALCRLRAMP1CALCB
SCHEMBL2211790 0.72 CALCRL (0.56) CALCRL
SCHEMBL2210477 0.71 CALCRL (0.55) CALCRL
SCHEMBL1896082 0.71 CALCRL (0.49) CALCRLRAMP1
SCHEMBL13015220 0.70 CALCRL (0.49) CALCRLRAMP1CALCBADM2
SCHEMBL3773542 0.70 CALCRL (0.49) CALCRLRAMP1CALCBADM2
SCHEMBL1898040 0.70 CALCRL (0.51) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 — — EP disclosed
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 — — EP disclosed
US-7951795-B2 Constrained spirocyclic compounds as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-31 — — US disclosed
US-7951795-B2 Constrained spirocyclic compounds as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-31 — — US disclosed
US-7951795-B2 Constrained spirocyclic compounds as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-31 — — US disclosed
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-18 — — US disclosed
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-18 — — US disclosed
US-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-18 — — US disclosed
WO-2008073251-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-19 — — 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 (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-20100069359-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB1, CALCR CALCRL 1/4885RAMP1 20/4885CALCB 9/4885

“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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