SCHEMBL8227340

SCHEMBL8227340

CC(=O)NC1CCCN(C(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 3/20 0.37
VNN1 O95497 1/20 0.37
EPHX1 P07099 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KDM5A P29375 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL12791555 1.00 CA1 (0.53) CA1CA2CA12CA9SIGMAR1
SCHEMBL12227430 0.89 CA1 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL8222149 0.89 CA1 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL12227429 0.89 CA1 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL612827 0.86 CA1 (0.42) CA1CA2CA12CA9SIGMAR1
SCHEMBL21452292 0.86 CA1 (0.45) CA1CA2CA12CA9SIGMAR1
SCHEMBL1061969 0.86 CA1 (0.42) CA1CA2CA12CA9SIGMAR1
SCHEMBL475538 0.86 CA1 (0.42) CA1CA2CA12CA9SIGMAR1
SCHEMBL8222138 0.82 BTK (0.40) CA1CA2CA12CA9
SCHEMBL28509408 0.81 SIGMAR1 (0.41) CA1CA2CA12CA9SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482841-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi (FR) 2025-01-01 EP claimed
WO-2023156643-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2023-08-24 WO claimed
EP-4482841-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi (FR) 2025-01-01 EP disclosed
WO-2023156643-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2023-08-24 WO disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8044045-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-7419989-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2008-09-02 US disclosed
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
US-20080132491-A1 Indazole-carboxamide compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-05 US disclosed
US-20080132491-A1 Indazole-carboxamide compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-05 US disclosed
US-7351704-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US 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 (9 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CA1 4826/4885CA2 2242/4885CA12 4607/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CA1 4864/4885CA2 3667/4885CA12 4860/4885
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CA1 3415/4885CA2 4555/4885CA12 4735/4885
US-20080132491-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CA1 4252/4885CA2 3377/4885CA12 4781/4885
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR3B CA1 4565/4885CA2 3988/4885CA12 4854/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 CA1 2950/4885CA2 2551/4885CA12 3938/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CA1 3415/4885CA2 4555/4885CA12 4735/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CA1 4252/4885CA2 3377/4885CA12 4781/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CA1 3224/4885CA2 4475/4885CA12 4743/4885

“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.