SCHEMBL16624342

SCHEMBL16624342

CN1CCc2c(n(Cc3ccccc3)c3cc(F)ccc23)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
HTR6 P50406 2/20 0.55
HRH1 P35367 2/20 0.55
HDAC6 Q9UBN7 5/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 2/20 0.53

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
SCHEMBL17993839 0.86 CHRM2 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL19970051 0.85 CHRM2 (0.80) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4138181 0.81 HTR6 (0.81) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL18035002 0.78 MCHR1 (0.55) HTR6HRH1CYP1A2CYP2D6BCHE
SCHEMBL8036733 0.77 HTR6 (0.71) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL20960970 0.77 HDAC6 (0.69) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4125370 0.76 CHRM2 (0.81) CHRM2HTR1AADRA2ACHRM1DRD1
Mebhydrolin SCHEMBL29802 0.75 ADRA2A (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Mebhydrolin SCHEMBL29808874 0.75 ADRA2A (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Mebhydrolin SCHEMBL2141004 0.74 ALDH1A1 (1.00) CHRM2HTR1AADRA2ACHRM1DRD1

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 CHRM2 960/4885HTR1A 1076/4885ADRA2A 912/4885

“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.