SCHEMBL12020829

SCHEMBL12020829

CN1C(=O)CCc2c(CCC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.63
CALCB P10092 9/20 0.53
ADM2 Q7Z4H4 9/20 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
SCHEMBL12020682 0.84 CALCRL (0.61) CALCRLCALCBADM2
SCHEMBL846246 0.79 ADM2 (0.63) CALCRLCALCBADM2
SCHEMBL2290842 0.79 ADM2 (0.68) CALCRLCALCBADM2
SCHEMBL13379150 0.78 CALCRL (0.58) CALCRLCALCBADM2
SCHEMBL13379113 0.78 CALCRL (1.00) CALCRL
SCHEMBL261237 0.77 CALCRL (0.84) CALCRLCALCB
SCHEMBL13379133 0.77 CALCRL (0.71) CALCRL
SCHEMBL13379136 0.76 CALCRL (1.00) CALCRLCALCB
SCHEMBL13379108 0.76 CALCRL (0.75) CALCRL
SCHEMBL5955987 0.75 ADM2 (0.64) CALCRLCALCBADM2

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-1794133-B1 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 US disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 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-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCB 15/4885ADM2 252/4885

“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.