SCHEMBL442267

SCHEMBL442267

CC1CCC=NC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
SLC18A3 Q16572 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8783820 0.82 RIPK1 (0.33) CYP2C19P2RX7KDM1AMAOAMAOB
SCHEMBL18889652 0.80 MAOB (0.39) CYP2C19CHRNA7KDM1AMAOAMAOB
SCHEMBL9249456 0.76 RIPK1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7068812 0.72 NOS1 (0.40) CYP2C19SLC18A3SIGMAR1KDM1AMAOA
SCHEMBL11813240 0.71
SCHEMBL15532637 0.67 MAOB (0.41) CYP2C19KDM1AMAOAMAOBSLC6A2
SCHEMBL7609774 0.67 KDM1A (0.46) KDM1AMAOBMEN1KMT2ASLC6A2
SCHEMBL3389545 0.65 NOS1 (0.46) CYP2C19SLC18A3KDM1AMAOAMAOB
SCHEMBL20080246 0.64 MAOB (0.40) CHRNB4CHRNA3P2RX7MAOAMAOB
SCHEMBL11711361 0.64 P2RX7 (0.36) CYP2C19CHRNA7P2RX7KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149469-B2 Pharmaceutical composition and a process thereof INDUS BIOTECH PVT. LTD. (IN) 2015-10-06 US disclosed
US-8702939-B2 Electrotaxis methods and devices MCMASTER UNIVERSITY (CA) 2014-04-22 US disclosed
US-8633229-B2 Pharmaceutical composition having dopaminergic activity INDUS BIOTECH PVT. LTD. (IN) 2014-01-21 US disclosed
EP-2114393-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING TRIGONELLINE AND 4-HYDROXYISOLEUCINE AND A PROCESS THEREOF INDUS BIOTECH PRIVATE LTD (IN) 2013-04-17 EP disclosed
US-8241648-B2 Synthetically modified fullerene molecules; ellipsoid with an equatorial band and two opposing poles; adduct at poles, hydrophobic chemical moiety capable of anchoring the fullerene on or in a lipid membrane; ointment, cream, lotion, moisturized patch or moisture-free patch, shampoo, gel, rinse LUNA INNOVATIONS INCORPORATED (US) 2012-08-14 US disclosed
US-20120061240-A1 ELECTROTAXIS METHODS AND DEVICES MCMASTER UNIVERSITY (CA) 2012-03-15 US disclosed
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 US disclosed
EP-2101768-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
WO-2008109031-A2 LIPOSOME CARRIERS FOR IN VIVO DELIVERY OF FULLERENES LUNA INNOVATIONS INCORPORATED (US) 2008-09-12 WO disclosed
WO-2008109032-A2 AMPHIPHILIC OR LIPOPHILIC POLAR FUNCTIONALIZED FULLERENES AND THEIR USES LUNA INNOVATIONS INCORPORATED (US) 2008-09-12 WO disclosed
US-20080221173-A1 PHARMACEUTICAL COMPOSITION AND A PROCESS THEREOF INDUS BIOTECH PVT. LTD. (IN) 2008-09-11 US disclosed
US-20080213352-A1 Liposome carriers for in vivo delivery of fullerenes LUNA INNOVATIONS INCORPORATED (US) 2008-09-04 US disclosed
US-20080213324-A1 Amphiphilic or lipophilic polar functionalized fullerenes and their uses LUNA INNOVATIONS INCORPORATED (US) 2008-09-04 US disclosed
WO-2008099083-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2008-08-21 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 (1 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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA CYP2C19 4858/4885SLC18A3 64/4885CHRNB2 67/4885

“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.