SCHEMBL5777954

SCHEMBL5777954

O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.77
OPRK1 P41145 3/20 0.77
OPRL1 P41146 2/20 0.77
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 1/20 0.70
CHRM1 P11229 3/20 0.69
DRD2 P14416 3/20 0.69
KCNH2 Q12809 2/20 0.69
PLD1 Q13393 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
PMP22 Q01453 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
DRD4 P21917 2/20 0.66
ADRA1A P35348 2/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1B P35368 1/20 0.65
PLD2 O14939 3/20 0.64
MEN1 O00255 1/20 0.62
SLC22A2 O15244 1/20 0.62

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
SCHEMBL24709114 0.93 CYP2D6 (0.74) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL31000422 0.93 CYP2D6 (0.74) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL24708725 0.92 CHRM1 (0.73) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL6404540 0.90 PLD1 (0.81) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL3665096 0.87 OPRM1 (1.00) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL5984495 0.87 CYP2D6 (0.85) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL6487094 0.86 OPRM1 (0.61) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL6404859 0.86 CHRM1 (0.88) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL13959551 0.85 OPRM1 (0.70) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL3671916 0.85 CHRM1 (0.72) OPRM1OPRK1OPRL1CYP2D6CYP2C9

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
US-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER FUSO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2024-08-29 US disclosed
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 EP disclosed
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO disclosed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 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-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1G, CACNA1I, CACNA1H OPRM1 877/4885OPRK1 739/4885OPRL1 368/4885

“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.