SCHEMBL14743649

SCHEMBL14743649

COCC1CCCN1CCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.47
ARG2 P78540 2/20 0.47
EPHX1 P07099 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
DRD2 P14416 6/20 0.41
CACNA1H O95180 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
GAA P10253 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL14743650 1.00 ARG1 (0.47) ARG1ARG2EPHX1HDAC8HDAC6
SCHEMBL18851527 0.89 EPHX1 (0.43) EPHX1DRD2CACNA1HTDP1ALDH1A1
SCHEMBL17625378 0.87 EPHX1 (0.46) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL4028869 0.87 EPHX1 (0.46) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL28316684 0.84 EPHX1 (0.46) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL14743629 0.82 ARG1 (0.51) ARG1ARG2HDAC8HDAC6HDAC1
SCHEMBL29759987 0.81 HRH3 (0.51) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL28316678 0.81 HRH3 (0.51) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL29760194 0.81 HRH3 (0.51) EPHX1DRD2CACNA1HTDP1HRH3
SCHEMBL24619422 0.81 TDP1 (0.49) EPHX1DRD2TDP1MEN1KMT2A

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
US-20240360134-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-10-31 US disclosed
EP-4376845-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2024-06-05 EP disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240360134-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS PDGFRB, PDGFRA, ABL1 ARG1 3021/4885ARG2 3208/4885EPHX1 1468/4885
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ARG1 25/4885ARG2 45/4885EPHX1 1299/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ARG1 25/4885ARG2 45/4885EPHX1 1299/4885

“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.