SCHEMBL5016405

SCHEMBL5016405

c1ccc(CN2CCCC(c3nc4ncccc4[nH]3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.61
AKT2 P31751 4/20 0.61
HTR2B P41595 1/20 0.56
SMO Q99835 1/20 0.56
GRIN2B Q13224 2/20 0.48
HPGDS O60760 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2A P28223 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD4 P21917 2/20 0.45
NPY5R Q15761 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL5025200 0.88 POLB (0.58) AKT1AKT2HTR2BSMOALDH1A1
SCHEMBL4048712 0.79 NPY5R (0.55) AKT1AKT2SMOALDH1A1NPY5R
SCHEMBL7583531 0.78 NPY5R (0.54) SMOALDH1A1NPY5R
SCHEMBL4111938 0.76 NPY5R (0.57) AKT1AKT2SMOALDH1A1NPY5R
SCHEMBL5256431 0.76 HTR2B (0.74) AKT1AKT2HTR2BKCNH2
SCHEMBL14501045 0.76 HTR2B (0.74) AKT1AKT2HTR2BKCNH2
SCHEMBL20284744 0.74 HPGDS (0.53) HTR2BHPGDSALDH1A1CYP1A2CYP3A4
SCHEMBL5016801 0.74 OPRL1 (0.47) AKT1AKT2SMOGRIN2BALDH1A1
SCHEMBL7016716 0.73 GRIN2B (0.71) HTR2BGRIN2BALDH1A1CYP2C9KCNH2
SCHEMBL20456553 0.72 HTR2B (0.72) AKT1HTR2BALDH1A1CYP1A2CYP3A4

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 4 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 claimed
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

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 AKT1 3596/4885AKT2 3086/4885HTR2B 46/4885

“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.