SCHEMBL3746053

SCHEMBL3746053

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
KCNN4 O15554 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
KIF11 P52732 2/20 0.37
PAX8 Q06710 1/20 0.36
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL24253164 0.78 ESR1 (0.50) TAAR1KIF11RAB9ACYP3A4CYP2C19
SCHEMBL29058896 0.78 TSHR (0.44) TAAR1KIF11RAB9AMAOBSLC6A2
SCHEMBL8257138 0.78 CA1 (0.47) TAAR1KIF11
SCHEMBL29058881 0.78 TSHR (0.43) TAAR1KIF11CYP3A4CYP19A1
SCHEMBL17723819 0.78 CA1 (0.47) TAAR1MAOBIDO1HTR2AHTR2C
SCHEMBL506977 0.77 TAAR1 (0.52) LOXL2KCNN4TAAR1KIF11
SCHEMBL4459928 0.77 LOXL2 (0.46) LOXL2KCNN4TAAR1KIF11USP2
Hydrochloric Acid SCHEMBL29098622 0.76 TSHR (0.42) TAAR1KIF11MAOBIDO1AGXT
SCHEMBL4785402 0.75 KCNN4 (0.37) LOXL2KCNN4TAAR1PAX8USP2
SCHEMBL1721847 0.75 KCNN4 (0.37) LOXL2KCNN4TAAR1PAX8USP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
US-10669296-B2 LXR agonists and uses thereof RGENIX, INC. (US) 2020-06-02 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 EP disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 WO disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 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 (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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 LOXL2 1880/4885KCNN4 613/4885TAAR1 2090/4885
US-10669296-B2 LXR agonists and uses thereof NR1H3, NR1H2, NR1H4 LOXL2 736/4885KCNN4 4810/4885TAAR1 494/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 LOXL2 736/4885KCNN4 4810/4885TAAR1 494/4885

“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.