SCHEMBL4629477

SCHEMBL4629477

O=c1[nH]c2cccnc2n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
GABRA1 P14867 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRG2 P18507 2/20 0.57
GABRB3 P28472 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRA3 P34903 2/20 0.57
GABRA2 P47869 2/20 0.57
GABRB2 P47870 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRE P78334 2/20 0.57
GABRA6 Q16445 2/20 0.57
GABRG1 Q8N1C3 2/20 0.57
GABRG3 Q99928 2/20 0.57
GABRQ Q9UN88 2/20 0.57
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47

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
SCHEMBL1699095 0.93 DAO (0.62) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL11435447 0.89 DAO (0.57) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL1699102 0.87 NTRK1 (0.57) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL30078862 0.87 NTRK1 (0.57) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL11556143 0.86 DAO (0.54) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL30615446 0.86 DAO (0.54) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL15427100 0.86 DAO (0.54) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL11554147 0.86 ALDH1A1 (0.58) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL1699133 0.86 DAO (0.58) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL527340 0.85 DAO (0.54) DAOGABRPGABRDGABRA1GABRB1

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
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US disclosed
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 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-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR DAO 1775/4885GABRP 260/4885GABRD 185/4885

“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.