SCHEMBL2826706

SCHEMBL2826706

COCC1CCCN1CCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.46
ARG2 P78540 2/20 0.46
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TLR7 Q9NYK1 1/20 0.39
PNP P00491 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KCNH2 Q12809 1/20 0.36
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34

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
SCHEMBL2826704 1.00 ARG1 (0.46) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL10064193 1.00 ARG1 (0.46) ARG1ARG2DRD2HTR2AHTR2C
Formic Acid SCHEMBL27975005 0.91 ARG1 (0.46) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL12280378 0.89 ARG1 (0.47) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL7309716 0.89 ARG1 (0.47) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL7309724 0.89 ARG1 (0.47) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL855183 0.88 ARG1 (0.46) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL2826721 0.86 ARG1 (0.45) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL24917581 0.85 DRD2 (0.46) ARG1ARG2DRD2HTR2AHTR2C
SCHEMBL25540921 0.85 DRD2 (0.46) ARG1ARG2DRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
US-9751876-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension NOVARTIS AG (CH) 2017-09-05 US disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 US disclosed
EP-2751108-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION Novartis AG (CH) 2014-07-09 EP disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
WO-2013030802-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2013-03-07 WO disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 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-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ARG1 25/4885ARG2 45/4885DRD2 3637/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ARG1 25/4885ARG2 45/4885DRD2 3637/4885

“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.