SCHEMBL5079980

SCHEMBL5079980

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.65
CACNB1 Q02641 10/20 0.65
CACNA1B Q00975 9/20 0.65
CACNA1G O43497 5/20 0.65
DRD2 P14416 2/20 0.56
HTR2A P28223 1/20 0.56
CACNA1C Q13936 5/20 0.56
CACNA1H O95180 1/20 0.56
CACNA1A O00555 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRM5 P41594 1/20 0.51

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
SCHEMBL2293723 0.84 DRD2 (0.51) CACNA2D1CACNB1CACNA1BCACNA1GDRD2
SCHEMBL26330969 0.80 CACNA2D1 (0.81) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL28972664 0.80 ADAMTS5 (0.61) DRD2HTR2ALMNAMAPTKMT2A
SCHEMBL3799761 0.80 KMT2A (0.67) DRD2HTR2AMAPTKMT2ASMN1; SMN2
SCHEMBL5267980 0.79 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL27237946 0.79 DRD2 (0.60) DRD2HTR2ADRD4DRD3
SCHEMBL3799756 0.79 OPRK1 (0.58) DRD2HTR2ADRD4DRD3GRM5
SCHEMBL5024628 0.77 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL6484201 0.77 ALDH1A1 (0.68) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5265154 0.77 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US claimed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 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 (2 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D CACNA2D1 36/4885CACNB1 13/4885CACNA1B 1/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 CACNA2D1 90/4885CACNB1 4/4885CACNA1B 1/4885

“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.