SCHEMBL5023968

SCHEMBL5023968

O=C(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
NPC1 O15118 7/20 0.61
RAB9A P51151 5/20 0.61
MAPT P10636 6/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 2/20 0.57
TP53 P04637 2/20 0.55
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
DRD4 P21917 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
DRD3 P35462 2/20 0.52
CACNA1F O60840 1/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
HRH2 P25021 1/20 0.52
ADRA1D P25100 1/20 0.52

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
SCHEMBL5024739 0.82 DRD4 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL5017459 0.81 DRD4 (0.55) MAPK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3860850 0.79 MAPK1 (0.71) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL15940856 0.78 NPC1 (0.80) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL5077523 0.77 DRD4 (0.56) MAPTDRD4HTR2AHTR7DRD3
SCHEMBL18711500 0.74 NPC1 (0.76) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL24507962 0.73 NPC1 (0.67) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL5675574 0.72 CACNA1F (0.57) MAPK1RAB9ADRD4HTR2AHTR7
SCHEMBL5017506 0.72 KCNH2 (0.57) RAB9ADRD4HTR2AHTR7DRD3
SCHEMBL5077519 0.71 HTR7 (0.67) MAPK1RAB9ALMNASMN1; SMN2DRD4

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
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
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 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 MAPK1 4067/4885NPC1 2377/4885RAB9A 2170/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 MAPK1 3415/4885NPC1 998/4885RAB9A 2676/4885

“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.