SCHEMBL7075474

SCHEMBL7075474

O=C(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 1/20 0.49
MAPT P10636 3/20 0.47
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 7/20 0.46
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
CYP3A4 P08684 5/20 0.46
ADORA3 P0DMS8 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA2B P29275 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL11289917 0.90 CYP2D6 (0.46) MAPTCYP2D6KCNH2ADORA2AADORA1
SCHEMBL8553165 0.88 CYP2D6 (0.46) EIF4A1MAPTCYP2D6KCNH2ADORA2A
SCHEMBL10390768 0.85 EIF4A1 (0.49) EIF4A1HTTKDM4ELMNAEPRS1
SCHEMBL11669235 0.85 AURKA (0.55)
SCHEMBL8556340 0.85 KCNH2 (0.45) EIF4A1MAPTCYP2D6KCNH2ADORA2A
SCHEMBL7221372 0.85 CYP2D6 (0.46) EIF4A1MAPTCYP2D6KCNH2ADORA2A
SCHEMBL31118733 0.84 EIF4A1 (0.48) EIF4A1MAPTHTTALDH1A1KDM4E
SCHEMBL16832498 0.84 KDM4E (0.46) EIF4A1MAPTMEN1KMT2AKDM4E
SCHEMBL10758255 0.82 PDE10A (0.64) EIF4A1HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7122718 0.80 CYP3A4 (0.43) MAPTCYP2D6KCNH2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026894-B1 PROCESS FOR THE PREPARATION OF ERYTHRO-ALPHA-2-PIPERIDYL-2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINE METHANOL BASF Aktiengesellschaft (DE) 1983-03-30 EP claimed
US-4327215-A Preparation of erythio-αpiperid-2-yl-2,8-bis-trifluoro-methyl)-quinolin-4-yl-methanol BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US claimed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 EP claimed
US-20210308120-A1 Use of Amitriptyline for Blocking Brain Hemichannels and Method for Potentiating its Effect in Vivo THERANEXUS (FR) 2021-10-07 US disclosed
EP-3322412-B1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO THERANEXUS (FR) 2021-04-07 EP disclosed
US-20180207147-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO THERANEXUS (FR) 2018-07-26 US disclosed
EP-3322412-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO Theranexus (FR) 2018-05-23 EP disclosed
WO-2017009472-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO THERANEXUS (FR) 2017-01-19 WO disclosed
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
EP-0975345-A1 (-)-MEFLOQUINE TO BLOCK PURINERGIC RECEPTORS AND TO TREAT MOVEMENT OR NEURODEGENERATIVE DISORDERS Cerebrus Pharmaceuticals Limited (GB) 2000-02-02 EP disclosed
WO-1999026627-A1 (-)-MEFLOQUINE TO BLOCK PURINERGIC RECEPTORS AND TO TREAT MOVEMENT OR NEURODEGENERATIVE DISORDERS CEREBRUS LIMITED (GB) 1999-06-03 WO disclosed
US-5175297-A METHYL-QUINOLINE DERIVATIVES AS MEFLOQUIN INTERMEDIATES AND PROCESS FOR PREPARATION THEREOF ALKALOIDA VEGYESZETI GYAR (HU) 1992-12-29 US disclosed
US-5166354-A QUINOLINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ALKALOIDA VEGYESZETI GYAR (HU) 1992-11-24 US disclosed
EP-0026894-B1 PROCESS FOR THE PREPARATION OF ERYTHRO-ALPHA-2-PIPERIDYL-2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINE METHANOL BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4327215-A Preparation of erythio-αpiperid-2-yl-2,8-bis-trifluoro-methyl)-quinolin-4-yl-methanol BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4327215-A Preparation of erythio-αpiperid-2-yl-2,8-bis-trifluoro-methyl)-quinolin-4-yl-methanol BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 EP 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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS CYP51A1, SQLE, NQO2 EIF4A1 2708/4885MAPT 484/4885CYP2D6 276/4885
US-20180207147-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO GAP43, GJB2, HCN3 EIF4A1 2735/4885MAPT 1650/4885CYP2D6 401/4885
US-20210308120-A1 Use of Amitriptyline for Blocking Brain Hemichannels and Method for Potentiating its Effect in Vivo GAP43, GJB2, HCN3 EIF4A1 2735/4885MAPT 1650/4885CYP2D6 401/4885

“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.