SCHEMBL4666335

SCHEMBL4666335

O=C(O)N1CC[C@](O)(c2ccc(F)cc2)[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGS2 P35354 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HSD11B1 P28845 7/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRM1 P35372 1/20 0.39
GRIN2B Q13224 1/20 0.39
CCR1 P32246 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL16422536 1.00 SLC6A3 (0.49) SLC6A3KMT2APTGS2DRD2DRD4
SCHEMBL4614574 1.00 SLC6A3 (0.49) SLC6A3KMT2APTGS2DRD2DRD4
SCHEMBL2246366 0.87 OPRK1 (0.49) KMT2AHSD11B1OPRK1OPRD1OPRM1
SCHEMBL2242094 0.87 OPRK1 (0.49) KMT2AHSD11B1OPRK1OPRD1OPRM1
SCHEMBL6042399 0.86 KMT2A (0.49) KMT2ADRD2DRD4DRD3HSD11B1
SCHEMBL16423480 0.84 KMT2A (0.51) SLC6A3KMT2APTGS2HSD11B1OPRK1
SCHEMBL16423136 0.82 SLC6A3 (0.41) SLC6A3KMT2ADRD2DRD4DRD3
SCHEMBL16423307 0.82 RORC (0.42) SLC6A3KMT2AOPRK1OPRD1OPRM1
SCHEMBL4666899 0.81 KMT2A (0.48) SLC6A3KMT2APTGS2HSD11B1OPRK1
SCHEMBL4919416 0.81 ALK (0.48) SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1928460-A2 MC4R-AGONISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION Pfizer Limited (GB) 2008-06-11 EP disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007015157-A2 MC4R-AG0NISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 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 (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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR SLC6A3 1030/4885KMT2A 3354/4885PTGS2 4377/4885
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G SLC6A3 783/4885KMT2A 3129/4885PTGS2 892/4885

“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.