SCHEMBL5076188

SCHEMBL5076188

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCSc2nc3ccccc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.55
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52
ALOX5 P09917 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5017459 0.82 DRD4 (0.55) SOAT1ALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL14761750 0.80 SMN1; SMN2 (0.57) SOAT1ALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL3889041 0.79 CACNA2D1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3860850 0.77 MAPK1 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1412333 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
Trifluoroacetic Acid SCHEMBL6285308 0.74 ALDH1A1 (0.53) SOAT1ALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL5026258 0.74 DRD2 (0.54) SOAT1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1704721 0.73 CYP1A2 (0.60) SOAT1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL14768643 0.72 SMN1; SMN2 (0.53) SOAT1ALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL1412334 0.72 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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-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

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 SOAT1 3547/4885ALDH1A1 3720/4885SMN1; SMN2 780/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 SOAT1 4080/4885ALDH1A1 4513/4885SMN1; SMN2 1149/4885

“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.