SCHEMBL231692

SCHEMBL231692

FC(F)(F)c1cccc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
SIGMAR1 Q99720 4/20 1.00
HTR3E A5X5Y0 3/20 1.00
HTR3B O95264 3/20 1.00
HTR3A P46098 3/20 1.00
HTR3D Q70Z44 3/20 1.00
HTR3C Q8WXA8 3/20 1.00
HTR2C P28335 2/20 1.00
HTR1D P28221 1/20 1.00
THRB P10828 2/20 0.97
MAPT P10636 1/20 0.97
ADRB1 P08588 6/20 0.69
HTR1A P08908 3/20 0.57
HTR7 P34969 3/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR2A P28223 1/20 0.57

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
SCHEMBL6094745 1.00 ALDH1A1 (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL720648 0.98 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL12818335 0.98 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Bromide SCHEMBL9146763 0.98 ALDH1A1 (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Piperazine SCHEMBL28225297 0.97 THRB (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL3060543 0.94 ALDH1A1 (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL9311165 0.92 THRB (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL232665 0.90 ALDH1A1 (0.82) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hexane SCHEMBL6472819 0.90 ALDH1A1 (0.81) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL31642192 0.88 HTR3E (0.79) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A

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 1915 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250360137-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES INC (US) 2025-11-27 US claimed
EP-4618980-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES Freedom Biosciences, Inc. (US) 2025-09-24 EP claimed
EP-4049017-B1 APPARATUS AND METHOD FOR DETERMINATION OF BANNED SUBSTANCES TALLINN UNIV OF TECHNOLOGY (EE) 2025-03-26 EP claimed
US-12111260-B2 Apparatus and method for determination of banned substances TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2024-10-08 US claimed
CN-114965780-B Method for simultaneously measuring 30 mental active substances in environmental water body 中科检测技术服务(广州)股份有限公司 2024-09-24 CN claimed
WO-2024107445-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES, INC. (US) 2024-05-23 WO claimed
EP-4049017-A2 APPARATUS AND METHOD FOR DETERMINATION OF BANNED SUBSTANCES Tallinn University of Technology (EE) 2022-08-31 EP claimed
US-20220249440-A1 MUSCLE REGENERATION PROMOTER SATO PHARMACEUTICAL CO., LTD. (JP) 2022-08-11 US claimed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN claimed
CN-114631021-A Apparatus and method for determining a non-enabling substance 塔林理工大学 2022-06-14 CN claimed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP claimed
US-4742054-A Treatment of mammals suffering from damage to the central nervous system NAFTCHI NOSRAT E (US) 1988-05-03 US claimed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP claimed
EP-0117531-B1 N-(3-TRIFLUOROMETHYL PHENYL)-N'-PROPARGYL PIPERAZINE, METHOD FOR ITS PREPARATION AND ITS USE BOEHRINGER INGELHEIM KG (DE) 1986-09-17 EP claimed
EP-0117531-A1 N-(3-trifluoromethyl phenyl)-N'-propargyl piperazine, method for its preparation and its use BOEHRINGER INGELHEIM KG (DE) 1984-09-05 EP claimed
EP-0025985-B1 2-SUBSTITUTED TRIAZOLO(4,3-1)PYRIDIN-3(2H)-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DEPRESSION Bristol-Myers Company (US) 1983-11-23 EP claimed
EP-0091511-A2 1-(3-(6-Fluoro-1,2-benzisoxazol-3-yl)propyl)-4-(substituted)-piperazines and -piperidines, a process for the preparation thereof, pharmaceutical compositions containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-10-19 EP claimed
EP-0025985-A1 2-Substituted triazolo(4,3-1)pyridin-3(2H)-ones, process for their preparation and pharmaceutical compositions for the treatment of depression Bristol-Myers Company (US) 1981-04-01 EP claimed
US-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 US claimed
EP-0008256-A2 Indane-acetic acid esters, their preparation and medicaments containing them HEXACHIMIE Société anonyme dite: (FR) 1980-02-20 EP claimed

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-20220249440-A1 MUSCLE REGENERATION PROMOTER MUSK, MYLK2, MYH2 ALDH1A1 1317/4885SIGMAR1 1573/4885HTR3E 64/4885
US-20250360137-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES PDE9A, PDE3A, PDE2A ALDH1A1 1406/4885SIGMAR1 1960/4885HTR3E 29/4885

“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.