SCHEMBL16434895

SCHEMBL16434895

CC1C=C(c2ccc(F)cc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
PRCP P42785 1/20 0.37
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1E P28566 1/20 0.32
HTR6 P50406 1/20 0.32
HTR3A P46098 1/20 0.32
HTR5A P47898 1/20 0.32
AXL P30530 1/20 0.32
KEAP1 Q14145 1/20 0.32
KHK P50053 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL16422438 0.87 KDM1A (0.46) CCNT1CDK9PRCP
SCHEMBL3653136 0.81 SIGMAR1 (0.42) CCNT1CDK9PRCPHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL20484045 0.78 KDM1A (0.42) CCNT1CDK9PRCPKHK
SCHEMBL14921680 0.77 PRCP (0.34) PRCPPTGS1PTGS2HTR2AHTR2C
Hydrochloric Acid SCHEMBL30376248 0.76 NR3C1 (0.53)
Hydrochloric Acid SCHEMBL27214101 0.76 NR3C1 (0.53)
Hydrochloric Acid SCHEMBL27230811 0.76 NR3C1 (0.53)
SCHEMBL6503299 0.72 TDO2 (0.46) CCNT1CDK9
SCHEMBL30471764 0.71 F2 (0.36) PRCPNPC1RAB9A
SCHEMBL5760094 0.71 DYRK1A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNT1 571/4885CDK9 2212/4885PRCP 4387/4885

“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.