SCHEMBL250792

SCHEMBL250792

CN1CCN(c2ccc(CNC(=O)O)cc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
SERPINE1 P05121 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KMT2A Q03164 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
MEN1 O00255 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
ENPP2 Q13822 1/20 0.43
P2RX7 Q99572 4/20 0.43
TACR1 P25103 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
RBP4 P02753 1/20 0.42
PIM1 P11309 1/20 0.42
CDK4 P11802 1/20 0.42
CCND3 P30281 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
SCHEMBL10232975 0.86 NAMPT (0.44) TRPV1SERPINE1PDE3BPDE3AKMT2A
SCHEMBL248593 0.84 PDE3B (0.45) TRPV1SERPINE1PDE3BPDE3AKMT2A
SCHEMBL14922307 0.80 ASIC3 (0.49) PDE3BPDE3AASIC3SRPK1PIM1
SCHEMBL7639391 0.80 SMN1; SMN2 (0.41) TRPV1KMT2AAURKAPDPK1RPS6KB1
SCHEMBL12141731 0.79 ASIC3 (0.50) PDE3BPDE3AASIC3PIM1CDK4
SCHEMBL7639386 0.79 AURKA (0.49) TRPV1SERPINE1AURKAPDPK1RPS6KB1
SCHEMBL25241289 0.79 NPY2R (0.54) SRPK1PIM1CDK4CCND3GSK3B
SCHEMBL12141713 0.78 AKR1C3 (0.48) SERPINE1PDE3BPDE3AHRH4ASIC3
SCHEMBL7639388 0.78 AURKA (0.45) TRPV1SERPINE1PDE3BPDE3AKMT2A
SCHEMBL25470893 0.78 HRH4 (0.41) TRPV1PDE3BPDE3AHRH4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (1 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 TRPV1 248/4885SERPINE1 1744/4885PDE3B 4/4885

“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.