SCHEMBL16624059

SCHEMBL16624059

COc1ccc2c(c1)C(N)CNC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
HTR2A P28223 2/20 0.51
HTR2B P41595 2/20 0.51
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNA7 P36544 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNH2 Q12809 1/20 0.41
RYR2 Q92736 1/20 0.41
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL10387927 0.87 HTR2C (0.50) HTR2CHTR2AHTR2BDRD2DRD3
Hydrochloric Acid SCHEMBL17965621 0.79 HTR2C (0.50) HTR2CHTR2AHTR2BCHRNA7CHRNB2
SCHEMBL5778167 0.78 HTR2C (0.49) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL18033558 0.78 CHRNB2 (0.43) HTR2CHTR2AHTR2BDRD2CHRNB2
SCHEMBL30932903 0.77 HTR2A (0.48) HTR2CHTR2AHTR2BSIGMAR1
SCHEMBL5183162 0.76 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNA7CHRNB2
SCHEMBL30932922 0.75 HTR2A (0.46) HTR2CHTR2AHTR2B
SCHEMBL2463469 0.75 ACHE (0.60) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL30563659 0.75 ACHE (0.60) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL30563644 0.75 ACHE (0.60) HTR2CHTR2AHTR2BDRD2DRD3

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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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 (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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H HTR2C 1102/4885HTR2A 1884/4885HTR2B 1940/4885

“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.