SCHEMBL3244152

SCHEMBL3244152

NCCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.53
NR3C2 P08235 1/20 0.50
MAOB P27338 4/20 0.47
PTPN7 P35236 2/20 0.44
DUSP3 P51452 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ADRA2A P08913 2/20 0.44
MAPT P10636 2/20 0.44
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
SLC6A2 P23975 2/20 0.44
MAPK1 P28482 2/20 0.44
DRD3 P35462 2/20 0.44
RECQL P46063 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PNMT P11086 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Hydrochloric Acid SCHEMBL3230959 0.98 TAAR1 (0.52) TAAR1NR3C2MAOBPTPN7DUSP3
SCHEMBL297428 0.89 NR3C2 (0.48) TAAR1NR3C2PTPN7DUSP3CYP2D6
SCHEMBL41769 0.86 PTPN7 (0.45) TAAR1NR3C2MAOBPTPN7DUSP3
SCHEMBL4391582 0.84 TAAR1 (0.53) TAAR1MAOBKDM4EADRA2AMAPT
Hydrochloric Acid SCHEMBL3570176 0.82 TAAR1 (0.52) TAAR1MAOBKDM4EADRA2AMAPT
SCHEMBL3637053 0.82 NR3C2 (0.49) NR3C2PTPN7DUSP3KDM4EMAPT
SCHEMBL27789311 0.82 NR3C2 (0.46) NR3C2PTPN7DUSP3CYP2D6AR
SCHEMBL2600223 0.82 CTSS (0.46) NR3C2PTPN7DUSP3TP53HSD17B10
SCHEMBL7865721 0.82 TAAR1 (0.45) TAAR1NR3C2MAOBPTPN7DUSP3
SCHEMBL10662203 0.81 PTPN7 (0.47) NR3C2PTPN7DUSP3CYP2D6AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
CN-102414168-A Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 TAAR1 1530/4885NR3C2 1561/4885MAOB 104/4885

“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.