SCHEMBL12419722

SCHEMBL12419722

O=CC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
CYP3A4 P08684 5/20 0.52
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
AKR1C3 P42330 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DEGS1 O15121 1/20 0.45
MAOB P27338 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DHFR P00374 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL28753061 0.84 GCK (0.50) NOTUM
SCHEMBL21180901 0.83 CYP3A4 (0.52) NOTUMCYP3A4CA12CA2CA9
SCHEMBL30410508 0.81 NOTUM (0.58) NOTUMHRH3
SCHEMBL1814706 0.81 NOTUM (0.50) NOTUMCA12CA2CA9TRIM24
SCHEMBL5535616 0.81 NOTUM (0.51) NOTUMCYP3A4CA12CA2CA9
Hydrochloric Acid SCHEMBL1818467 0.79 NOTUM (0.49) NOTUMCA12CA2CA9TRIM24
SCHEMBL4940215 0.79 TRIM24 (0.66) MAOBTRIM24TRIM33
SCHEMBL17754020 0.78 CYP3A4 (0.51) NOTUMCYP3A4CA12CA2CA9
SCHEMBL28650484 0.78 CA12 (0.65) NOTUMCYP3A4CA12CA2CA9
SCHEMBL17121346 0.77 ALDH1A1 (0.50) TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174263-B Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2025-01-10 CN disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed
EP-2768491-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2016-12-21 EP disclosed
US-9266908-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2016-02-23 US disclosed
CN-104244932-A Inhibitors of arginase and their therapeutic applications MARS INC 2014-12-24 CN disclosed
US-20140343019-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-11-20 US disclosed
EP-2768491-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2014-08-27 EP disclosed
WO-2013059437-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2013-04-25 WO disclosed
US-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988077-A1 NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS SHIONOGI & CO., LTD. (JP) 2008-11-05 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-20140343019-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT1 NOTUM 1695/4885CYP3A4 2418/4885CA12 1538/4885
US-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 NOTUM 3462/4885CYP3A4 356/4885CA12 1849/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 NOTUM 3462/4885CYP3A4 356/4885CA12 1849/4885

“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.