SCHEMBL16422679

SCHEMBL16422679

Fc1ccc(C2C3CNCC32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
KDM1A O60341 2/20 0.40
TACR1 P25103 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2B P41595 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL30272565 0.77 HTR2C (0.52) HTR2CTACR1CHRNB2CHRNB4CHRNA3
SCHEMBL6925312 0.76 BPTF (0.43) KDM1ACHRNB4CHRNA3
SCHEMBL744545 0.76 BPTF (0.43) KDM1ACHRNB4CHRNA3
SCHEMBL17123793 0.76 CHRNB4 (0.50) HTR2CKDM1ATDP1CHRNB2CHRNB4
SCHEMBL3176450 0.75 TACR1 (0.47) HTR2CKDM1ATACR1PAX8HTR2A
SCHEMBL5500234 0.75 TACR1 (0.47) HTR2CKDM1ATACR1PAX8HTR2A
SCHEMBL18480979 0.75 HTR2C (0.32) HTR2CKDM1ATACR1ATM
SCHEMBL4985979 0.75 TACR1 (0.47) HTR2CKDM1ATACR1PAX8HTR2A
Hydrochloric Acid SCHEMBL796223 0.74 CHRNB4 (0.48) HTR2CKDM1ATDP1CHRNB2CHRNB4
SCHEMBL22821190 0.74 KDM1A (0.48) HTR2CKDM1ATDP1ATMGSK3B

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-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US 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
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 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
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 308/4885KDM1A 3885/4885TACR1 674/4885

“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.