SCHEMBL17339769

SCHEMBL17339769

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.62
KMT2A Q03164 10/20 0.62
TP53 P04637 2/20 0.61
CHRM2 P08172 2/20 0.59
GPR55 Q9Y2T6 3/20 0.58
HTT P42858 3/20 0.58
CNR1 P21554 2/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MITF O75030 2/20 0.58
MAPK1 P28482 2/20 0.58
CNR2 P34972 1/20 0.58
GPR35 Q9HC97 1/20 0.58
XBP1 P17861 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
ALDH1A1 P00352 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL17753544 0.91 CHRM2 (0.63) MEN1KMT2ATP53CHRM2CNR1
SCHEMBL8273074 0.89 MEN1 (0.61) MEN1KMT2ATP53CHRM2GPR55
SCHEMBL17340053 0.88 SIGMAR1 (0.64) MEN1KMT2ATP53GPR55HTT
SCHEMBL6327377 0.86 MEN1 (0.73) MEN1KMT2ATP53CHRM2GPR55
SCHEMBL17340068 0.84 DRD2 (0.56) MEN1KMT2ATP53GPR55HTT
SCHEMBL17339768 0.83 TP53 (0.54) MEN1KMT2ATP53CHRM2GPR55
SCHEMBL17340067 0.83 KCNH2 (0.58) MEN1KMT2ATP53GPR55HTT
SCHEMBL17339771 0.81 CCR3 (0.53) MEN1KMT2ATP53CHRM2SMN1; SMN2
SCHEMBL6322828 0.80 MEN1 (0.86) MEN1KMT2ATP53GPR55HTT
SCHEMBL17340069 0.78 SIGMAR1 (0.60) MEN1KMT2ATP53GPR55HTT

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 MEN1 429/4885KMT2A 3549/4885TP53 3976/4885

“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.