SCHEMBL17339771

SCHEMBL17339771

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.53
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
TP53 P04637 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL17753545 0.91 GRIN1 (0.63) CCR3GRIN1GRIN2ADRD2DRD4
SCHEMBL8273956 0.89 TDP1 (0.54) GRIN1GRIN2AKMT2AMEN1TDP1
SCHEMBL17340067 0.88 KCNH2 (0.58) CCR3KMT2AMEN1SMN1; SMN2DRD2
SCHEMBL17340068 0.84 DRD2 (0.56) CCR3KMT2AMEN1TDP1KDM4E
SCHEMBL17340054 0.84 TDP1 (0.53) CCR3KMT2AMEN1TDP1KDM4E
SCHEMBL17340053 0.83 SIGMAR1 (0.64) CCR3KMT2AMEN1TDP1KDM4E
SCHEMBL17339769 0.81 MEN1 (0.62) KMT2AMEN1SMN1; SMN2TP53CHRM2
SCHEMBL17339767 0.79 SIGMAR1 (0.67) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL9372179 0.77 SIGMAR1 (0.72) KMT2AMEN1TDP1SIGMAR1L3MBTL1
SCHEMBL13705517 0.77 KCNH2 (0.57) KMT2AMEN1TDP1SMN1; SMN2TP53

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 CCR3 685/4885GRIN1 850/4885GRIN2A 1714/4885

“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.