SCHEMBL5026258

SCHEMBL5026258

Fc1ccc(C(CCCCCN2CCN(CCSc3nc4ccccc4s3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
DRD3 P35462 2/20 0.54
SOAT1 P35610 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
IDO1 P14902 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44

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 0.88 DRD4 (0.55) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL5024739 0.83 DRD4 (0.57) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL5026310 0.80 KCNH2 (0.53) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL904827 0.75 LMNA (0.55) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL5076188 0.74 SOAT1 (0.55) SOAT1CYP1A2CYP2D6
SCHEMBL14761750 0.72 SMN1; SMN2 (0.57) SOAT1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1704721 0.72 CYP1A2 (0.60) HTR2AHTR7SOAT1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7327779 0.71 MEN1 (0.54) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL5083177 0.71 DRD2 (0.46) DRD2DRD4HTR2AHTR7DRD3
SCHEMBL14761267 0.71 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611116-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE Neuromed Technologies, Inc. (CA) 2006-01-04 EP claimed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US claimed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO 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
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

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-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D DRD2 1147/4885DRD4 2141/4885HTR2A 372/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 DRD2 1553/4885DRD4 2402/4885HTR2A 429/4885

“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.