SCHEMBL16624303

SCHEMBL16624303

COc1ccc2c(c1)C(N)CN(C)C2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.62
SLC6A4 P31645 6/20 0.62
SLC6A3 Q01959 6/20 0.62
SIGMAR1 Q99720 2/20 0.46
DRD1 P21728 3/20 0.46
DRD5 P21918 2/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
KYAT1 Q16773 1/20 0.43
KYAT3 Q6YP21 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
RYR2 Q92736 1/20 0.42
OPRM1 P35372 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
SCHEMBL16624007 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SIGMAR1DRD2
SCHEMBL18034954 0.81 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL18034982 0.81 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL6482800 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL4035754 0.77 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL2463469 0.73 ACHE (0.60) SIGMAR1DRD2DRD3
SCHEMBL30563659 0.73 ACHE (0.60) SIGMAR1DRD2DRD3
SCHEMBL269087 0.73 ACHE (0.60) SIGMAR1DRD2DRD3
SCHEMBL30563644 0.73 ACHE (0.60) SIGMAR1DRD2DRD3
SCHEMBL4418237 0.73 ACHE (0.60) SIGMAR1DRD2DRD3

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 2 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
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 SLC6A2 1180/4885SLC6A4 617/4885SLC6A3 629/4885

“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.