SCHEMBL5166604

SCHEMBL5166604

CN1CCC(C#N)(c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.97
KMT2A Q03164 1/20 0.52
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CCR1 P32246 2/20 0.46

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
SCHEMBL648009 0.83 OPRM1 (0.68) OPRM1DRD2DRD4DRD3CCR1
SCHEMBL1284714 0.83 OPRM1 (0.71) OPRM1KMT2A
SCHEMBL4657165 0.83 OPRM1 (0.71) OPRM1KMT2A
SCHEMBL3157118 0.83 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL1284273 0.83 OPRM1 (0.71) OPRM1KMT2A
SCHEMBL504355 0.82 OPRM1 (0.70) OPRM1KMT2A
SCHEMBL4656597 0.82 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL5758344 0.81 KMT2A (0.66) OPRM1KMT2A
Hydrochloric Acid SCHEMBL3595890 0.81 OPRM1 (0.73) OPRM1KMT2A
SCHEMBL1285120 0.81 OPRM1 (0.68) OPRM1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION MINDIMMUNE THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2906546-B1 BENZAMIDES H LUNDBECK AS (DK) 2018-01-10 EP disclosed
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 US disclosed
US-9649308-B2 Benzamide-containing compounds and their use in the treatment of pain H. LUNDBECK A/S (DK) 2017-05-16 US disclosed
US-20150283134-A1 Benzamides MINDIMMUNE THERAPEUTICS, INC. 2015-10-08 US disclosed
CN-104884445-A Benzamides LUNDBECK & CO AS H 2015-09-02 CN disclosed
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9102591-B2 Benzamides H. LUNDBECK A/S (DK) 2015-08-11 US disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-7345059-B2 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-03-18 US disclosed
US-7345059-B2 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-03-18 US disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 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 (7 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-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION P2RX5, P2RX7, P2RX2 OPRM1 513/4885KMT2A 1410/4885DRD2 329/4885
US-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 OPRM1 161/4885KMT2A 245/4885DRD2 44/4885
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 OPRM1 666/4885KMT2A 1446/4885DRD2 1476/4885
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885KMT2A 854/4885DRD2 1448/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885KMT2A 854/4885DRD2 1448/4885
US-20150283134-A1 Benzamides P2RX7, TRPV1, P2RX5 OPRM1 363/4885KMT2A 2723/4885DRD2 1575/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 OPRM1 345/4885KMT2A 2482/4885DRD2 897/4885

“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.