SCHEMBL3539449

SCHEMBL3539449

NCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
TAAR1 Q96RJ0 2/20 0.59
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CHRNA7 P36544 1/20 0.42
AOC3 Q16853 1/20 0.41
CYP19A1 P11511 3/20 0.39
AKT2 P31751 1/20 0.39

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 SCHEMBL10684546 0.97 HTR2A (0.56) HTR2ATAAR1CHRNB2CHRNA4GABBR2
SCHEMBL3910286 0.93 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4GABBR2
Hydrochloric Acid SCHEMBL3891276 0.91 HTR2A (0.70) HTR2ATAAR1CHRNB2CHRNA4IDO1
SCHEMBL4618800 0.80 HRH1 (0.62) HTR2ATAAR1GABBR2GABBR1IDO1
SCHEMBL11085032 0.79 GABBR2 (0.62) TAAR1GABBR2GABBR1IDO1TDO2
SCHEMBL16462055 0.78 P2RX7 (0.50) HTR2ATAAR1CHRNB2CHRNA4CYP19A1
Hydrochloric Acid SCHEMBL9662256 0.78 HRH1 (0.60) HTR2ATAAR1IDO1TDO2LOXL2
SCHEMBL18466458 0.77 GABBR2 (0.46) TAAR1GABBR2GABBR1IDO1TDO2
SCHEMBL5502468 0.77 GABBR2 (0.46) TAAR1GABBR2GABBR1IDO1TDO2
SCHEMBL6085867 0.77 LOXL2 (0.50) TAAR1GABBR2GABBR1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
EP-3226867-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 EP disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 EP disclosed
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed
US-5225411-A Triazines ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
EP-0139358-B1 N6-SUBSTITUTED DIARYLALKYL ADENOSINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WARNER-LAMBERT COMPANY (US) 1988-11-09 EP disclosed
EP-0251339-A2 N6- substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1988-01-07 EP disclosed
US-4657898-A CARDIOVACULAR AND PSYCHOLOGICAL DISORDERS, ANALGESICS, OR SEDATIVES WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
US-4657897-A N6 -substituted adenosines for treating pain WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 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 (4 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-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HTR2A 3482/4885TAAR1 2149/4885CHRNB2 3468/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 HTR2A 22/4885TAAR1 11/4885CHRNB2 126/4885
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 HTR2A 1181/4885TAAR1 3581/4885CHRNB2 427/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HTR2A 3482/4885TAAR1 2149/4885CHRNB2 3468/4885

“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.