SCHEMBL3249080

SCHEMBL3249080

O=C1NC(Cc2ccccc2)CN1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.42
TP53 P04637 1/20 0.40
KHK P50053 2/20 0.40
SCD O00767 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
GRM2 Q14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL3248256 0.82 CHRM3 (0.54)
SCHEMBL4598053 0.75 SLC18A3 (0.44) TP53KHKHTR2AHTR2CHTR2B
SCHEMBL2604304 0.75 SLC18A3 (0.44) TP53KHKHTR2AHTR2CHTR2B
SCHEMBL16390739 0.74 HSD11B1 (0.74) GBA1HSD11B1TP53KHKHTR2A
SCHEMBL8600161 0.73 POLB (0.38) POLBSCDGRM2SLC6A2SLC6A4
SCHEMBL22560041 0.72 POLB (0.41) POLBSCDGRM2
SCHEMBL3961308 0.71 GBA1 (0.49) GBA1POLB
SCHEMBL13986105 0.71 HPGD (0.46) POLB
SCHEMBL1291380 0.69 SCD (0.41) POLBSCDGRM2
SCHEMBL3861071 0.69 GBA1 (0.49) GBA1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103020-B Cgrp receptor antagonists MERCK & CO INC 2011-04-27 CN disclosed
EP-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
EP-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US disclosed
CN-101103020-A CGRP receptor antagonists MERCK & CO INC (US) 2008-01-09 CN 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-20080125413-A1 Cgrp Receptor Antagonists CALCRL, NPY1R, CCKBR GBA1 1114/4885POLB 3904/4885HSD11B1 3612/4885

“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.