SCHEMBL10246005

SCHEMBL10246005

CC1(c2cc(F)cc(F)c2)NC(=O)N(CC2CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
HTR7 P34969 5/20 0.38
HTR1A P08908 4/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL10245833 0.78 ALDH1A1 (0.44) TDP1ALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL10246065 0.78 ALDH1A1 (0.44) TDP1ALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL10246127 0.77 TDP1 (0.39) TDP1ALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL10246144 0.75 ALDH1A1 (0.50) DRD2HTR7HTR1ATDP1ALDH1A1
SCHEMBL10246303 0.73 L3MBTL1 (0.38) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10246211 0.72 BACE1 (0.44) ALDH1A1
SCHEMBL2065684 0.70 ALDH1A1 (0.56) GRIN1GRIN2BTDP1ALDH1A1MAPK1
SCHEMBL10246143 0.69 MEN1 (0.39) DRD2HTR7HTR1AALDH1A1MEN1
SCHEMBL10246117 0.68 ALDH1A1 (0.37) DRD2HTR7HTR1AALDH1A1MAPK1
SCHEMBL14069181 0.68 ALDH1A1 (0.37) DRD2HTR7HTR1AALDH1A1MAPK1

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
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL DRD2 475/4885HTR7 550/4885HTR1A 234/4885

“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.