SCHEMBL16434840

SCHEMBL16434840

Cc1ccc(C2=CCNCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.57
QDPR P09417 3/20 0.55
SIGMAR1 Q99720 2/20 0.53
NISCH Q9Y2I1 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
KHK P50053 3/20 0.44
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
Hydrochloric Acid SCHEMBL16422718 0.98 HTR2C (0.58) HTR2CQDPRSIGMAR1NISCHHTR2A
SCHEMBL4670817 0.87 SIGMAR1 (0.57) HTR2CQDPRSIGMAR1HTR2AHTR7
SCHEMBL3383939 0.85 HTR2C (0.62) HTR2CQDPRSIGMAR1HTR2AHTR7
SCHEMBL14956908 0.85 QDPR (0.60) HTR2CQDPRSIGMAR1HTR7HTR6
Hydrochloric Acid SCHEMBL6371753 0.83 HTR2C (0.64) HTR2CQDPRSIGMAR1HTR2AHTR7
SCHEMBL24669951 0.81 HTR2C (0.57) HTR2CQDPRSIGMAR1KHK
SCHEMBL27866836 0.81 QDPR (0.73) HTR2CQDPRSIGMAR1KHK
SCHEMBL904201 0.81 HTR2C (0.49) HTR2CQDPRSIGMAR1HTR2AHTR7
SCHEMBL16874849 0.80 QDPR (0.66) HTR2CQDPRSIGMAR1TGFBR1ACVR1
Hydrochloric Acid SCHEMBL979625 0.79 QDPR (0.64) HTR2CQDPRSIGMAR1TGFBR1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084916-A Tri-heterocyclic compounds and uses thereof 成都赜灵生物医药科技有限公司 2024-05-28 CN 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
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 308/4885QDPR 1209/4885SIGMAR1 624/4885

“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.