SCHEMBL10189869

SCHEMBL10189869

c1ccc(CC2CNC3(CCCC3)CN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1393899 1.00 POLB (0.45) POLBMEN1KMT2AHRH3
SCHEMBL21683267 0.85 MAPT (0.34) POLB
SCHEMBL538540 0.75 POLB (0.59) POLBMEN1KMT2AHRH3
SCHEMBL899608 0.75 POLB (0.59) POLBMEN1KMT2AHRH3
SCHEMBL538541 0.75 POLB (0.59) POLBMEN1KMT2AHRH3
SCHEMBL23477739 0.74 POLB (0.47) POLBMEN1KMT2A
SCHEMBL15669880 0.73 POLB (0.57) POLBMEN1KMT2AHRH3
SCHEMBL23802807 0.73 POLB (0.57) POLBMEN1KMT2AHRH3
SCHEMBL1897843 0.73 POLB (0.57) POLBMEN1KMT2AHRH3
SCHEMBL23802919 0.73 POLB (0.57) POLBMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 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 (2 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 POLB 2728/4885MEN1 717/4885KMT2A 3183/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL POLB 2730/4885MEN1 756/4885KMT2A 3351/4885

“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.