SCHEMBL2401439

SCHEMBL2401439

Cc1cncc(N2CCN(C)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.58
HTR3E A5X5Y0 4/20 0.58
HTR3B O95264 4/20 0.58
HTR3D Q70Z44 4/20 0.58
HTR3C Q8WXA8 4/20 0.58
HRH4 Q9H3N8 8/20 0.49
DRD2 P14416 1/20 0.45
HTR6 P50406 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL9885016 0.84 PDE10A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL12677961 0.82 CRHBP (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1713997 0.81 KMT2A (0.40) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15344982 0.80 HRH3 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9885000 0.79 KMT2A (0.53) HRH4NPSR1KDM4EALDH1A1CYP1A2
SCHEMBL1026934 0.79 HTR2C (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17525869 0.79 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3056725 0.79 KDM4E (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19582126 0.79 HTR3A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL419964 0.79 HTR3A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 WO disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
CN-102869666-B For the heterocycle inhibitor of the Histamine Receptors of disease treatment KALYPSYS, INC. (US) 2015-09-09 CN disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
CN-102869666-A Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS INC 2013-01-09 CN disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3A 115/4885HTR3E 53/4885HTR3B 69/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HTR3A 3742/4885HTR3E 3160/4885HTR3B 2293/4885

“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.