SCHEMBL4617152

SCHEMBL4617152

CC(CN)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.65
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.49
TDO2 P48775 1/20 0.49
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX1 P07099 2/20 0.45
ACP3 P15309 2/20 0.44
CES2 O00748 1/20 0.44
TACR1 P25103 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 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
SCHEMBL24779826 1.00 PNMT (0.65) PNMTHTR2AHTR2BHTR2CTAAR1
Hydrochloric Acid SCHEMBL3908140 0.98 PNMT (0.63) PNMTHTR2AHTR2BHTR2CTAAR1
SCHEMBL25923475 0.88 TAAR1 (0.50) PNMTHTR2AHTR2BHTR2CTAAR1
SCHEMBL25894263 0.84 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL10274869 0.84 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL24779791 0.84 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL19656828 0.82 PNMT (0.51) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL29949259 0.82 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL25853626 0.82 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL18211318 0.82 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
US-6313175-B1 FOR THERAPY OF OBESITY; FOR QUANTITATING THE BINDING OF SEROTONIN OR A SEROTONIN LIGAND BIOSTREAM, INC. 2001-11-06 US disclosed
EP-0762877-B1 META SUBSTITUTED ARYLALKYLAMINES AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF THEJMDE TRUST (US) 2001-03-21 EP disclosed
US-6004990-A MEDICAL DIAGNOSIS ZEBRA PHARMACEUTICALS (US) 1999-12-21 US disclosed
US-5587398-A Meta substituted arylalkylamines and therapeutic and diagnostic uses therefor Elmaleh, David R. (US) 1996-12-24 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 (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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B PNMT 1101/4885HTR2A 283/4885HTR2B 248/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PNMT 4249/4885HTR2A 2517/4885HTR2B 3232/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B PNMT 1101/4885HTR2A 283/4885HTR2B 248/4885

“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.