SCHEMBL12060502

SCHEMBL12060502

CCn1c(=O)n(CC(=O)N(C)C)c2c(C)cc(C)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.52
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ C5AR1 P21730 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GRIN1 Q05586 7/20 0.38
▸ GRIN2B Q13224 7/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TSPO P30536 1/20 0.36

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
SCHEMBL2256255 0.88 CALCRL (0.51) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL12362443 0.86 KMT2A (0.54) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL12362445 0.83 KMT2A (0.54) CALCRLKMT2ASMN1; SMN2C5AR1GRIN1
SCHEMBL12048967 0.82 CALCRL (0.44) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL2254681 0.76 CALCRL (0.44) CALCRLKMT2ASMN1; SMN2C5AR1GRIN1
SCHEMBL4309342 0.72 GRIN1 (0.42) CALCRLKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12362442 0.72 KMT2A (0.53) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL14198765 0.70 KMT2A (0.58) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL2256984 0.69 CALCRL (0.52) CALCRLKMT2ASMN1; SMN2C5AR1KDM4E
SCHEMBL12362418 0.69 KMT2A (0.57) CALCRLKMT2ASMN1; SMN2C5AR1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071772-B2 Spirolactam bicyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-31 — — 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-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885KMT2A 4316/4885SMN1; SMN2 3238/4885

“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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