SCHEMBL16423151

SCHEMBL16423151

NCC1CN(C(=O)O)CC1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2B P41595 5/20 0.53
HTR2A P28223 4/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
DPP4 P27487 2/20 0.39
KDM1A O60341 2/20 0.39
SLC9A1 P19634 1/20 0.38
CCR5 P51681 3/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
RORC P51449 1/20 0.37
NMT1 P30419 2/20 0.37
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL16423149 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16423153 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL4110254 0.87 NMT1 (0.45) HTR2CHTR2BHTR2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4096328 0.85 HTR2C (0.53) HTR2CHTR2BHTR2ACCR5MAOB
SCHEMBL16434930 0.81 RORC (0.52) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15397482 0.80 KDM1A (0.50) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15397583 0.80 KDM1A (0.50) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15397555 0.80 KDM1A (0.50) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL2148749 0.78 TLR2 (0.41) SLC6A4SLC6A3KDM1ASLC9A1TLR2
SCHEMBL16423081 0.78 MMP2 (0.44) CCR5

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G HTR2C 308/4885HTR2B 576/4885HTR2A 485/4885

“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.