SCHEMBL2884835

SCHEMBL2884835

CC(=O)On1c(=O)n2c3c(cccc31)NC(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.41
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SHMT2 P34897 1/20 0.32

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
SCHEMBL12971371 0.81 CALCRL (0.31) CALCRL
SCHEMBL259895 0.73 CALCRL (0.42) CALCRLHTTALDH1A1LMNASMN1; SMN2
SCHEMBL261366 0.73 CALCRL (0.52) CALCRLHTTALDH1A1CASP3CASP2
SCHEMBL261357 0.72 CALCRL (0.49) CALCRLALDH1A1PKMNPC1GAA
SCHEMBL261349 0.71 CALCRL (0.51) CALCRLHTTALDH1A1CASP3CASP2
SCHEMBL31276490 0.67 ALDH1A1 (0.42) HTTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL30417713 0.64 BRD4 (0.38) CALCRLALDH1A1LMNANPSR1KMT2A
SCHEMBL30419432 0.62 MCL1 (0.48) HTTALDH1A1LMNANPSR1CASP3
SCHEMBL30418522 0.62 L3MBTL1 (0.41) HTTALDH1A1LMNANPSR1CASP3
SCHEMBL31276429 0.61 HTR1A (0.43) —

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-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 — — US disclosed
US-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists MERCK & CO., INC. (US) 2008-09-04 — — 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-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885HTT 2214/4885ALDH1A1 1122/4885

“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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