SCHEMBL5222576

SCHEMBL5222576

COCc1cc(C#N)cc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
GPR35 Q9HC97 2/20 0.34
GLRA1 P23415 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL4651669 0.86 MRGPRX4 (0.56) MRGPRX4GRM5ALDH1A1RAB9AFFAR1
SCHEMBL4652881 0.84 MRGPRX4 (0.46) MRGPRX4MAPTEGLN2
SCHEMBL28026974 0.83 GLRA1 (0.41) MRGPRX4ALDH1A1RAB9AFFAR1GLRA1
SCHEMBL4693441 0.81 CA12 (0.49) MRGPRX4ALDH1A1RAB9AGPR35
SCHEMBL20698865 0.79 GRM5 (0.46) MRGPRX4GRM5ALDH1A1EGLN2FFAR1
SCHEMBL4694668 0.79 GRM5 (0.46) MRGPRX4GRM5ALDH1A1EGLN2FFAR1
SCHEMBL5227093 0.79 MRGPRX4 (0.40) MRGPRX4ALDH1A1MAPTGPR35GSK3B
SCHEMBL5222486 0.77 GSK3B (0.40) MRGPRX4GPR35GSK3B
SCHEMBL11875236 0.77 GSK3B (0.40) GPR35GSK3B
SCHEMBL5225023 0.77 MAPT (0.48) ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (3 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885GRM5 8/4885ALDH1A1 3466/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885GRM5 8/4885ALDH1A1 3466/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885GRM5 8/4885ALDH1A1 3466/4885

“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.