SCHEMBL4459928

SCHEMBL4459928

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KCNN4 O15554 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KIF11 P52732 2/20 0.38
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 3/20 0.36
AGXT P21549 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL15558948 0.79 TAAR1 (0.54) TAAR1HTR2CSLC6A3KIF11MAOB
SCHEMBL3746053 0.77 LOXL2 (0.44) LOXL2KCNN4TAAR1SLC6A2HTR2A
SCHEMBL1463293 0.76 MAPT (0.44) LOXL2TAAR1KIF11RAB9AMAOB
SCHEMBL4110242 0.75 CYP3A4 (0.50) LOXL2KCNN4TAAR1USP2RAB9A
SCHEMBL1619364 0.75 TAAR1 (0.60) LOXL2KCNN4TAAR1SLC6A2HTR2A
SCHEMBL5308364 0.75 LOXL2 (0.42) LOXL2KCNN4TAAR1SLC6A2HTR2A
SCHEMBL3264276 0.74 HTR2A (0.42) TAAR1HTR2AHTR2CHTR2BMAOB
SCHEMBL6641361 0.74 ESR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3KIF11
SCHEMBL6060758 0.74 TSHR (0.48) TAAR1HTR2AHTR2CHTR2BKIF11
SCHEMBL4976900 0.74 TSHR (0.46) TAAR1SLC6A2HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276542-A A kind of method that high yield prepares fluorine-containing polyureas mono-dispersion microballoon 济南大学 2018-07-13 CN claimed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP claimed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US claimed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
CN-108276542-A A kind of method that high yield prepares fluorine-containing polyureas mono-dispersion microballoon 济南大学 2018-07-13 CN disclosed
EP-2292595-A1 Potassium channel modulators NeuroSearch AS (DK) 2011-03-09 EP disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
EP-1911740-A1 POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2008-04-16 EP disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-4730068-A SPECIAL EFFECT ON BREAST CANCER ASTA-WERKE AKTIENGESELLSCHAFT (DE) 1988-03-08 US 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 (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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R LOXL2 2523/4885KCNN4 1829/4885TAAR1 333/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 LOXL2 1114/4885KCNN4 2042/4885TAAR1 398/4885

“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.