SCHEMBL2961709

SCHEMBL2961709

c1cn(CC2CCCNC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.65
CYP19A1 P11511 14/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
TBXAS1 P24557 1/20 0.38

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
SCHEMBL14254658 1.00 CYP2B6 (0.65) CYP2B6CYP19A1HRH3HRH4TBXAS1
SCHEMBL2961712 1.00 CYP2B6 (0.65) CYP2B6CYP19A1HRH3HRH4TBXAS1
Hydrochloric Acid SCHEMBL27926211 0.98 CYP2B6 (0.63) CYP2B6CYP19A1HRH3HRH4TBXAS1
SCHEMBL14254668 0.90 CYP2B6 (0.59) CYP2B6CYP19A1HRH3HRH4TBXAS1
SCHEMBL14254664 0.90 CYP2B6 (0.59) CYP2B6CYP19A1HRH3HRH4TBXAS1
SCHEMBL7664060 0.90 CYP2B6 (0.59) CYP2B6CYP19A1HRH3HRH4TBXAS1
Hydrochloric Acid SCHEMBL17048494 0.89 CYP2B6 (0.57) CYP2B6CYP19A1HRH3HRH4TBXAS1
SCHEMBL13736636 0.83 CYP2B6 (0.61) CYP2B6CYP19A1TBXAS1
SCHEMBL11051252 0.81 CYP2B6 (0.89) CYP2B6CYP19A1TBXAS1
SCHEMBL11047050 0.81 CYP2B6 (0.96) CYP2B6CYP19A1HRH3HRH4TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661811-A Latent accelerator based on anhydride-tertiary amine dynamic ion pair, preparation method and application thereof 江南大学 2025-03-21 CN claimed
CN-119661811-A Latent accelerator based on anhydride-tertiary amine dynamic ion pair, preparation method and application thereof 江南大学 2025-03-21 CN disclosed
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same ONCOTARTIS INC. (US) 2019-02-19 US disclosed
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2019-01-31 US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed
EP-1362039-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2005-12-21 EP disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 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 (5 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-10208032-B2 Benzamide and nicotinamide compounds and methods of using same NAMPT, NNT, NADK CYP2B6 767/4885CYP19A1 2463/4885HRH3 404/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 CYP2B6 1722/4885CYP19A1 3360/4885HRH3 80/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 CYP2B6 1915/4885CYP19A1 512/4885HRH3 533/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C CYP2B6 1467/4885CYP19A1 3129/4885HRH3 59/4885
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NNT, NAMPT, NNMT CYP2B6 1427/4885CYP19A1 1768/4885HRH3 506/4885

“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.