SCHEMBL17339768

SCHEMBL17339768

COc1ccc(CNCCCCOC(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
CHRM2 P08172 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SCN8A Q9UQD0 1/20 0.50
CNR1 P21554 2/20 0.47
GPR55 Q9Y2T6 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
CNR2 P34972 1/20 0.47
GPR35 Q9HC97 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL17753536 0.93 CHRM2 (0.54) CHRM2MEN1KMT2ASCN8AMAPK1
SCHEMBL8273971 0.90 TDP1 (0.58) TP53CHRM2MEN1KMT2ASCN8A
SCHEMBL13705507 0.84 TP53 (0.53) TP53MEN1KMT2ACNR1GPR55
SCHEMBL17339767 0.84 SIGMAR1 (0.67) MEN1KMT2AHTTSIGMAR1HTR1A
SCHEMBL17339769 0.83 MEN1 (0.62) TP53CHRM2MEN1KMT2ASCN8A
SCHEMBL13705509 0.81 TDP1 (0.62) TP53MEN1KMT2ACNR1GPR55
SCHEMBL17340063 0.81 SLC6A2 (0.56) MEN1KMT2AHTTSIGMAR1HTR1A
SCHEMBL14160236 0.78 SCN1A (0.55) CHRM2MEN1KMT2ALMNAMAPK1
SCHEMBL17753539 0.75 SIGMAR1 (0.77) HTTSIGMAR1HTR1A
SCHEMBL14160114 0.75 SCN1A (0.55) CHRM2MEN1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136115-A1 T TYPE CALCIUM CHANNEL INHIBITORS UNIVERSITY OF VIRGINIA 2016-05-19 US disclosed
US-9212127-B2 T type calcium channel inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-15 US disclosed
US-9212127-B2 T type calcium channel inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-15 US 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-20160136115-A1 T TYPE CALCIUM CHANNEL INHIBITORS CACNA1H, CACNA1I, CACNA1G TP53 3976/4885CHRM2 1067/4885MEN1 429/4885

“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.