SCHEMBL5016797

SCHEMBL5016797

N#CC1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.54
LTA4H P09960 2/20 0.53
CCR3 P51677 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 1/20 0.49
BACE1 P56817 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
CXCR4 P61073 1/20 0.47
HTR2A P28223 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
SCHEMBL311417 0.94 ACHE (0.61) ACHELTA4HCCR3ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL312187 0.92 ACHE (0.59) ACHELTA4HCCR3ALDH1A1SIGMAR1
SCHEMBL6646032 0.88 CYP2D6 (0.60) ACHEALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12205290 0.85 MEN1 (0.48) LTA4HALDH1A1CYP1A2CYP3A4SIGMAR1
SCHEMBL607249 0.84 ACHE (0.53) ACHELTA4HCCR3ALDH1A1CYP1A2
SCHEMBL607250 0.84 ACHE (0.53) ACHELTA4HCCR3ALDH1A1CYP1A2
SCHEMBL3273178 0.84 ACHE (0.53) ACHELTA4HCCR3ALDH1A1CYP1A2
SCHEMBL28444623 0.80 LTA4H (0.51) ACHELTA4HCCR3ALDH1A1SIGMAR1
SCHEMBL14046072 0.78 ACHE (0.50) ACHECCR3ALDH1A1CYP1A2CYP3A4
SCHEMBL3359586 0.78 LTA4H (0.52) ACHELTA4HBCHEBACE1HTR2A

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
EP-1250337-B1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 EP disclosed
US-7304052-B2 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUITCA N.V. (BE) 2007-12-04 US disclosed
US-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-24 US disclosed
EP-1250337-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS Janssen Pharmaceutica N.V. (BE) 2002-10-23 EP disclosed
WO-2001046189-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-06-28 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 (1 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-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants HRH2, CBR1, HTR1D ACHE 1181/4885LTA4H 1696/4885CCR3 3769/4885

“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.