SCHEMBL336049

SCHEMBL336049

C[C@H](N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.51
IDO1 P14902 4/20 0.47
TDO2 P48775 2/20 0.47
PDE2A O00408 1/20 0.45
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.40
CES2 O00748 1/20 0.38
TACR3 P29371 1/20 0.36

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
SCHEMBL1492761 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL6917133 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL1728680 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL7939177 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL4471353 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Methane SCHEMBL4258949 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL7170075 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL17439064 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL29799650 0.88 TACR1 (0.44) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL29799603 0.88 TACR1 (0.44) TACR1IDO1TDO2PDE2ACACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118373777-A Pyrimidine diketone derivative and preparation method and application thereof 河北科技大学 2024-07-23 CN disclosed
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN disclosed
CN-115215941-A Nano double-enzyme cascade reactor based on spontaneous isopeptide bond covalent self-assembly 浙江工业大学 2022-10-21 CN disclosed
CN-114457125-A Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2022-05-10 CN disclosed
EP-2578574-B1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME KOWA CO (JP) 2016-04-27 EP disclosed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US disclosed
US-20150320748-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-11-12 US disclosed
US-20150306098-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-10-29 US disclosed
US-8906895-B2 Optically active dibenzylamine derivative, and method for preparing thereof KOWA COMPANY, LTD. (JP) 2014-12-09 US disclosed
EP-2789347-A1 AGENT FOR INHIBITING EXPRESSION OF NPC1L1 AND/OR LIPG MRNA AND AGENT FOR PREVENTING AND/OR TREATING OBESITY Kowa Company, Ltd. (JP) 2014-10-15 EP 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-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-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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP 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 (2 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-20150320748-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA SREBF1, SCD, SREBF2 TACR1 1795/4885IDO1 2359/4885TDO2 4681/4885
US-20150306098-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA SREBF1, SCD, SREBF2 TACR1 1795/4885IDO1 2359/4885TDO2 4681/4885

“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.