SCHEMBL10246092

SCHEMBL10246092

O=C1NC2(CCCCCC2)C(=O)N1CC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 2/20 0.53
PLA2G7 Q13093 1/20 0.50
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL31414869 0.91 POLB (0.46) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL10304450 0.78 POLB (0.62) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11808078 0.78 KMT2A (0.63) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11684372 0.76 POLB (0.51) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11774212 0.76 POLB (0.59) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL16588002 0.76 POLB (0.61) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11648474 0.75 LMNA (0.60) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL15333089 0.75 POLB (0.73) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL19002339 0.75 LMNA (0.60) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2561521 0.75 POLB (0.73) POLBALDH1A1KMT2ASMN1; SMN2LMNA

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 POLB 4249/4885ALDH1A1 843/4885KMT2A 2484/4885

“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.