SCHEMBL3665096

SCHEMBL3665096

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 1.00
OPRK1 P41145 1/20 1.00
OPRL1 P41146 1/20 1.00
DRD4 P21917 1/20 0.73
AKT1 P31749 2/20 0.72
AKT2 P31751 2/20 0.72
AKT3 Q9Y243 1/20 0.72
CHRM1 P11229 2/20 0.70
DRD2 P14416 1/20 0.68
CYP3A4 P08684 1/20 0.67

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
Oxalic Acid SCHEMBL5778025 0.95 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL8863557 0.95 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL11223608 0.92 OPRM1 (0.86) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL3634015 0.91 OPRM1 (0.83) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL20763210 0.90 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL1436457 0.89 OPRM1 (0.79) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL6496007 0.88 OPRM1 (0.83) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL5777954 0.87 OPRM1 (0.77) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL5774325 0.87 OPRM1 (0.78) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL7849321 0.87 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4AKT1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 EP claimed
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
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
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO disclosed
EP-2357172-B1 Process for the preparation of pimozide INST UNIV CIENCIA I TECNOLOGIA (ES) 2012-10-31 EP disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP 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 (2 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 OPRM1 4585/4885OPRK1 4261/4885OPRL1 4337/4885
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.