SCHEMBL17753545

SCHEMBL17753545

Cc1ccc(CCCCCNCC(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.63
GRIN2A Q12879 2/20 0.63
SIGMAR1 Q99720 9/20 0.53
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
CCR3 P51677 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CHRM2 P08172 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
SCHEMBL17339771 0.91 CCR3 (0.53) GRIN1GRIN2ASIGMAR1DRD2DRD4
SCHEMBL17339770 0.81 KCNH2 (0.67) SIGMAR1DRD2DRD4DRD3HTR2A
SCHEMBL8091246 0.80 SIGMAR1 (0.79) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL10725426 0.79 ADRB2 (0.59) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL10725397 0.79 ADRB2 (0.59) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL10725416 0.79 ADRB2 (0.59) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL8273956 0.79 TDP1 (0.54) GRIN1GRIN2ASIGMAR1ADRB2ADRB1
SCHEMBL17340067 0.78 KCNH2 (0.58) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL17753544 0.77 CHRM2 (0.63) GRIN1GRIN2ASIGMAR1HTR2AKCNH2
SCHEMBL9973184 0.76 DRD2 (0.50) SIGMAR1DRD2DRD4DRD3KCNH2

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 1 patent. 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

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 GRIN1 850/4885GRIN2A 1714/4885SIGMAR1 1869/4885

“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.