SCHEMBL5023627

SCHEMBL5023627

Cc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.56
CACNA1B Q00975 9/20 0.56
CACNB1 Q02641 9/20 0.56
CACNA1C Q13936 7/20 0.56
CACNA1H O95180 1/20 0.56
CACNA1G O43497 3/20 0.55
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL14606169 0.84 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL2292927 0.84 ADRB1 (0.51) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL3860597 0.81 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5024628 0.80 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL26330969 0.80 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3794409 0.80 ME2 (0.68) TSHRALDH1A1MAPTMEN1CYP2C19
SCHEMBL5026259 0.80 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3794406 0.79 CNR1 (0.52) GAATSHRALDH1A1MAPTMEN1
SCHEMBL4456969 0.78 TSHR (0.51) GAATSHRALDH1A1MAPTLMNA
SCHEMBL2021224 0.77 MAPT (0.66) GAATSHRALDH1A1MAPTMEN1

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 7 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
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 WO 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 36/4885CACNA1B 1/4885CACNB1 13/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 CACNA2D1 90/4885CACNA1B 1/4885CACNB1 4/4885

“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.