SCHEMBL5225023

SCHEMBL5225023

COCCOc1cc(C#N)cc(C(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
PLA2G2A P14555 1/20 0.39
RORC P51449 1/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.36
CHEK2 O96017 1/20 0.36
PDGFRB P09619 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL5225196 0.86 PLA2G2A (0.46) MAPTALDH1A1RAB9APLA2G2AMMP2
SCHEMBL39013 0.86 MAPT (0.60) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL5223976 0.86 PLA2G2A (0.54) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL38560 0.85 MAPT (0.54) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL5229647 0.84 GPR35 (0.43) MAPTALDH1A1RAB9ANPC1PLA2G2A
SCHEMBL38464 0.82 GSK3B (0.50) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL46510 0.82 MAPT (0.49) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL5223955 0.82 PLA2G2A (0.61) ALDH1A1PLA2G2A
SCHEMBL4276392 0.82 P4HB (0.43) MAPTALDH1A1RAB9ANPC1RECQL
SCHEMBL3487346 0.82 PLA2G2A (0.47) MAPTALDH1A1RAB9ANPC1RECQL

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 MAPT 659/4885ALDH1A1 3466/4885RAB9A 1813/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885ALDH1A1 3466/4885RAB9A 1813/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885ALDH1A1 3466/4885RAB9A 1813/4885

“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.