SCHEMBL3400670

SCHEMBL3400670

O=CNCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.46
DAO P14920 2/20 0.41
IDO1 P14902 2/20 0.40
RHOC P08134 2/20 0.38
RHOA P61586 2/20 0.38
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
ACP1 P24666 1/20 0.36
MLYCD O95822 1/20 0.36
CES2 O00748 1/20 0.35
XPO1 O14980 1/20 0.35

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 SCHEMBL6682230 0.98 TACR1 (0.44) TACR1DAOIDO1RHOCRHOA
SCHEMBL14334755 0.92 TACR1 (0.44) TACR1DAOIDO1RHOCRHOA
Maleic Acid SCHEMBL17004012 0.89 TACR1 (0.48) TACR1RHOCRHOAMTORKMT2A
SCHEMBL5543041 0.83 TAAR1 (0.56) DAOIDO1KMT2A
SCHEMBL5535476 0.81 TAAR1 (0.50) KMT2A
SCHEMBL568587 0.81 RHOC (0.46) TACR1DAOIDO1RHOCRHOA
Hydrochloric Acid SCHEMBL3152128 0.79 RHOC (0.45) TACR1DAOIDO1RHOCRHOA
Hydrochloric Acid SCHEMBL3143818 0.79 RHOC (0.45) TACR1DAOIDO1RHOCRHOA
SCHEMBL1838112 0.79 DAO (0.45) TACR1DAOIDO1MTORCES2
SCHEMBL2895602 0.75 KMT2A (0.47) TACR1DAOIDO1KMT2APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377064-A1 ORVEPITANT FOR THE TREATMENT OF CHRONIC COUGH NeRRe Therapeutics Limited (GB) 2018-09-26 EP claimed
WO-2017118584-A1 ORVEPITANT FOR THE TREATMENT OF CHRONIC COUGH NERRE THERAPEUTICS LIMITED (GB) 2017-07-13 WO claimed
EP-2906219-A1 NOVEL USES NeRRe Therapeutics Limited (GB) 2015-08-19 EP claimed
WO-2012175434-A1 PHARMACEUTICAL FORMULATIONS COMPRISING VESTIPITANT GLAXO GROUP LIMITED (GB) 2012-12-27 WO claimed
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
US-11813248-B2 NK-1 antagonist compositions and methods for use in treating depression CHASE THERAPEUTICS CORPORATION (US) 2023-11-14 US disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
US-20220168281-A1 NK-1 ANTAGONIST COMPOSITIONS AND METHODS FOR USE IN TREATING DEPRESSION CHASE THERAPEUTICS CORPORATION (US) 2022-06-02 US disclosed
US-20220160683-A1 NK-1 ANTAGONIST COMPOSITIONS AND METHODS FOR USE IN TREATING DEPRESSION CHASE THERAPEUTICS CORPORATION (US) 2022-05-26 US disclosed
US-20210393595-A1 ANTI-NEURODEGENERATIVE COMBINATIONS AND USE FOR TREATMENT OF NEURODEGENERATIVE DISEASES CHASE THERAPEUTICS CORPORATION (US) 2021-12-23 US disclosed
EP-3735237-A1 USE OF (1S,3S)-3-AMINO-4-(DIFLUOROMETHYLIDENE) CYCLOPENTANE-1-CARBOXYLIC ACID AND (S)-3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID IN THE TREATMENT OF TINNITUS, ACUTE SENSORINEURAL HEARING LOSS, MENIERE'S DISEASE, TOURETTE'S SYNDROME, ATTENTION DEFICIT HYPERACTIVITY DISORDER AND ADDICTION Ovid Therapeutics Inc. (US) 2020-11-11 EP disclosed
EP-1472256-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
WO-2003066635-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
WO-2003066589-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 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-20210393595-A1 ANTI-NEURODEGENERATIVE COMBINATIONS AND USE FOR TREATMENT OF NEURODEGENERATIVE DISEASES HTT, PARK7, SNCA TACR1 418/4885DAO 2427/4885IDO1 287/4885

“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.