SCHEMBL678149

SCHEMBL678149

Clc1ccc2c(c1)NC(N1CCNCC1)=c1ccccc1=N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM3 P20309 3/20 0.47
DRD1 P21728 3/20 0.47
KCNH2 Q12809 3/20 0.47
MTOR P42345 2/20 0.47
HTR3A P46098 7/20 0.43
HTR1A P08908 6/20 0.43
HTR2A P28223 6/20 0.43
HTR2B P41595 5/20 0.43
HTR7 P34969 4/20 0.43
HTR6 P50406 4/20 0.43
HTR2C P28335 4/20 0.43
HTR3E A5X5Y0 3/20 0.43

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
SCHEMBL33323 0.87 DRD2 (0.51) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL17471629 0.85 HTR3E (0.44) DRD2CYP1A2CYP3A4CYP2D6CHRM1
Hydrochloric Acid SCHEMBL7853611 0.85 DRD2 (0.49) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL18639828 0.84 DRD2 (0.41) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL10108539 0.84 HRH4 (0.44) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL11929339 0.81 DRD2 (0.35) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL3411946 0.74 DRD2 (0.82) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL3413788 0.72 DRD2 (0.67) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL3413510 0.71 DRD2 (0.70) DRD2CYP1A2CYP3A4CYP2D6CHRM1
SCHEMBL3414277 0.69 DRD2 (0.78) DRD2CYP1A2CYP3A4CYP2D6CHRM1

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349760-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Coda Biotherapeutics, Inc. (US) 2018-07-25 EP claimed
WO-2017049252-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS SWITCH BIO, INC. (US) 2017-03-23 WO claimed
EP-3349760-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Coda Biotherapeutics, Inc. (US) 2018-07-25 EP disclosed
US-20180193414-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CODA BIOTHERAPEUTICS INC (US) 2018-07-12 US disclosed
WO-2017049252-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS SWITCH BIO, INC. (US) 2017-03-23 WO disclosed
EP-2288345-B1 PSYCHO-PHARMACEUTICALS UNIV DUBLIN (IE) 2015-06-10 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007050697-A2 COMPOSITIONS AND METHODS FOR THE ADMINISTRATION PSYCHOTROPIC DRUGS WHICH MODULATE BODY WEIGHT AZUR PHARMA III LIMITED (BM) 2007-05-03 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070092586-A1 Compositions and methods for the administration psychotropic drugs which modulate body weight ALAMO PHARMACEUTICALS (US) 2007-04-26 US disclosed
US-20070092586-A1 Compositions and methods for the administration psychotropic drugs which modulate body weight ALAMO PHARMACEUTICALS (US) 2007-04-26 US disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 US 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 (7 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 DRD2 1837/4885CYP1A2 2055/4885CYP3A4 2764/4885
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 DRD2 1528/4885CYP1A2 4444/4885CYP3A4 4765/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 DRD2 1115/4885CYP1A2 4816/4885CYP3A4 4875/4885
US-20070092586-A1 Compositions and methods for the administration psychotropic drugs which modulate body weight CYP2D6, HTR5A, HTR2A DRD2 17/4885CYP1A2 33/4885CYP3A4 110/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 DRD2 4305/4885CYP1A2 4835/4885CYP3A4 4872/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 DRD2 1837/4885CYP1A2 2055/4885CYP3A4 2764/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 DRD2 1528/4885CYP1A2 4444/4885CYP3A4 4765/4885

“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.