SCHEMBL5016801

SCHEMBL5016801

OC1(c2nc3ncccc3[nH]2)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.47
POLB P06746 1/20 0.46
DRD4 P21917 2/20 0.46
SMO Q99835 1/20 0.44
CHRM2 P08172 1/20 0.44
CCR3 P51677 1/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5015261 0.76 OPRL1 (0.46) OPRL1POLBCHRM2CCR3ALDH1A1
SCHEMBL5016405 0.74 AKT1 (0.61) DRD4SMODRD2AKT1AKT2
SCHEMBL2008062 0.70 KMT2A (0.47) DRD4CHRM2DRD2DRD3ALDH1A1
SCHEMBL3905400 0.70 OPRL1 (0.63) OPRL1POLBCHRM2CCR3ALDH1A1
SCHEMBL3212649 0.69 OPRL1 (0.58) OPRL1POLBCHRM2CCR3AKT1
Hydrochloric Acid SCHEMBL7751618 0.69 POLB (0.64) OPRL1POLBCHRM2CCR3ALDH1A1
SCHEMBL2518972 0.69 OPRL1 (0.59) OPRL1POLBCHRM2CCR3DRD2
SCHEMBL7866429 0.69 OPRL1 (0.57) OPRL1POLBCHRM2CCR3ALDH1A1
SCHEMBL8891476 0.68 CCR3 (0.89) OPRL1POLBDRD4CCR3DRD2
SCHEMBL11626032 0.68 OPRL1 (0.56) OPRL1POLBDRD4CHRM2CCR3

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 152/4885POLB 3374/4885DRD4 837/4885

“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.