SCHEMBL5028799

SCHEMBL5028799

CCCN=C=NCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
DNM1 Q05193 3/20 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
Hydrochloric Acid SCHEMBL6687210 0.98 CYP1A2 (0.54) CYP1A2CYP2D6DNM1
SCHEMBL722942 0.86 CYP1A2 (0.76) CYP1A2CYP2D6DNM1
SCHEMBL342301 0.85 CYP1A2 (0.75) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6977316 0.84 CYP1A2 (0.73) CYP1A2CYP2D6DNM1
Hydrochloric Acid SCHEMBL347681 0.83 CYP1A2 (0.72) CYP1A2CYP2D6DNM1
SCHEMBL132315 0.81
SCHEMBL7501948 0.78 CYP1A2 (0.39) CYP1A2CYP2D6
Trimethylammonium SCHEMBL28274973 0.77 CYP1A2 (0.58) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7614612 0.76 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL857940 0.76 CYP1A2 (0.76) CYP1A2CYP2D6DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8859735-B2 Gelatin alkyd peptides and uses thereof EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-10-14 US disclosed
WO-2014035364-A2 GELATIN ALKYD PEPTIDES AND USES THEREOF EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-03-06 WO disclosed
US-20140057053-A1 GELATIN ALKYD PEPTIDES AND USES THEREOF EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-02-27 US disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
US-7329515-B2 Solid support for the synthesis of 3′-amino oligonucleotides SIGMA-ALDRICH CO. (US) 2008-02-12 US disclosed
US-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PROLIGO LLC (US) 2004-11-04 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 (4 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 CYP1A2 874/4885CYP2D6 2785/4885DNM1 3611/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB CYP1A2 874/4885CYP2D6 2785/4885DNM1 3611/4885
US-20140057053-A1 GELATIN ALKYD PEPTIDES AND USES THEREOF NGLY1, TPD52L2, PLOD3 CYP1A2 4105/4885CYP2D6 4047/4885DNM1 4812/4885
US-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PCNA, DERA, RNGTT CYP1A2 3770/4885CYP2D6 1565/4885DNM1 2807/4885

“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.