SCHEMBL2604299

SCHEMBL2604299

O=C1Nc2ccccc2C2(CCN(C(=O)c3ccccc3)CC2)N1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 6/20 0.71
▸ DDB1 Q16531 2/20 0.64
▸ PDE7A Q13946 2/20 0.57
▸ PLD1 Q13393 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ RIPK1 Q13546 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PDE7B Q9NP56 1/20 0.43

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
SCHEMBL21484152 0.83 CRBN (1.00) CRBNDDB1SIGMAR1HPGDCHRM2
SCHEMBL23067572 0.78 CRBN (1.00) CRBNDDB1SIGMAR1RIPK1
SCHEMBL22058383 0.78 CRBN (0.62) CRBNDDB1SIGMAR1HPGDCHRM2
SCHEMBL13068678 0.77 PDE7A (0.67) CRBNPDE7APLD1PDE7B
SCHEMBL9912018 0.77 PDE7A (0.67) CRBNPDE7APLD1
SCHEMBL13052383 0.75 PDE7A (0.58) PDE7APLD1SIGMAR1ALDH1A1TP53
SCHEMBL22931975 0.74 CRBN (0.82) CRBNDDB1PDE7A
SCHEMBL14156534 0.74 PDE7A (0.61) CRBNPDE7APLD1
SCHEMBL29793337 0.74 PDE7A (1.00) PDE7APDE7B
SCHEMBL299646 0.74 PDE7A (1.00) PDE7APDE7B

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
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 — — US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 — — US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 — — WO disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 — — US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 — — US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 — — 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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR CRBN 2842/4885DDB1 3904/4885PDE7A 804/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR CRBN 2842/4885DDB1 3904/4885PDE7A 804/4885

“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.

Send feedback