SCHEMBL5015261

SCHEMBL5015261

Cn1c(C2(O)CCCN(Cc3ccccc3)CC2)nc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
POLB P06746 1/20 0.45
CCR3 P51677 1/20 0.43
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
GRM2 Q14416 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL5016801 0.76 OPRL1 (0.47) OPRL1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3212649 0.71 OPRL1 (0.58) OPRL1POLBCCR3CHRM2ALDH1A1
SCHEMBL3905400 0.69 OPRL1 (0.63) OPRL1POLBCCR3CHRM2KMT2A
SCHEMBL6030476 0.69 OPRL1 (0.58) OPRL1POLBCCR3
Hydrochloric Acid SCHEMBL7751618 0.68 POLB (0.64) OPRL1POLBCCR3CHRM2KMT2A
SCHEMBL2518972 0.68 OPRL1 (0.59) OPRL1POLBCCR3CHRM2HTR2C
SCHEMBL6031116 0.68 OPRL1 (0.53) OPRL1POLBCCR3CHRM2
SCHEMBL8891476 0.67 CCR3 (0.89) OPRL1POLBCCR3HTR1AHTR2C
SCHEMBL11626032 0.67 OPRL1 (0.56) OPRL1POLBCCR3CHRM2KMT2A
SCHEMBL2515120 0.67 OPRL1 (0.56) OPRL1POLBCCR3CHRM2KMT2A

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 OPRL1 152/4885HTR3E 64/4885HTR3B 69/4885

“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.