SCHEMBL2099353

SCHEMBL2099353

O=C(O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.65
DRD4 P21917 1/20 0.65
DRD3 P35462 1/20 0.65
CALCRL Q16602 16/20 0.57
TNKS O95271 1/20 0.57
RAMP1 O60894 2/20 0.54
CCR5 P51681 1/20 0.51
KCNH2 Q12809 1/20 0.51
AKT1 P31749 1/20 0.41

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
SCHEMBL3249030 0.88 DRD2 (0.52) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL12400701 0.83 DRD2 (0.72) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL10316244 0.83 DRD2 (0.68) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL2104155 0.83 DRD2 (0.56) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL4082177 0.83 DRD2 (0.61) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801273 0.82 DRD2 (0.67) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3964155 0.81 DRD2 (0.54) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL2102005 0.80 DRD2 (0.64) DRD2DRD4DRD3CALCRLTNKS
Hydrochloric Acid SCHEMBL2273497 0.80 DRD2 (0.64) DRD2DRD4DRD3CALCRLTNKS
Hydrochloric Acid SCHEMBL5551325 0.80 DRD2 (0.64) DRD2DRD4DRD3CALCRLTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO 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
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
EP-2027106-A2 CGRP RECEPTOR ANTAGONISTS Vertex Pharmaceuticals Incorporated (US) 2009-02-25 EP 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
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 DRD2 1168/4885DRD4 2723/4885DRD3 1499/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR DRD2 1168/4885DRD4 2723/4885DRD3 1499/4885

“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.