SCHEMBL5224048

SCHEMBL5224048

Brc1ccc(-c2ccccn2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
TP53 P04637 6/20 0.64
POLB P06746 4/20 0.64
HSD17B10 Q99714 4/20 0.64
PKM P14618 3/20 0.64
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 7/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 2/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL3076222 0.85 KDM4E (0.62) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL3477639 0.81 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL20267194 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL30387679 0.76 KDM4E (0.50) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL12803792 0.74 KDM4E (0.48) NPC1RAB9ASMN1; SMN2TP53POLB
Dipyridyl SCHEMBL29351528 0.69 KDM4E (1.00) NPC1RAB9ASMN1; SMN2TP53POLB
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) NPC1RAB9ASMN1; SMN2TP53POLB
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL11983825 0.69 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53POLB
Dipyridyl SCHEMBL5922 0.69 KDM4E (1.00) NPC1RAB9ASMN1; SMN2TP53POLB

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 12 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
CN-1332959-C Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2007-08-22 CN 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
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN 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-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO 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 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885

“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.