SCHEMBL619952

SCHEMBL619952

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.46
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NOS2 P35228 1/20 0.38
NAMPT P43490 1/20 0.38
KLKB1 P03952 2/20 0.37
KLK1 P06870 2/20 0.37
TP53 P04637 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL618429 0.90 HTT (0.43) HTTSMN1; SMN2NAMPTTP53
SCHEMBL620530 0.84 TRPV1 (0.48) HTTSMN1; SMN2KLKB1KLK1TP53
SCHEMBL619249 0.81 HTT (0.48) HTTSMN1; SMN2
SCHEMBL250787 0.80 HTT (0.47) HTTSMN1; SMN2
SCHEMBL620177 0.79 LRRK2 (0.43) HTTSMN1; SMN2
SCHEMBL616608 0.79 LRRK2 (0.43) HTTSMN1; SMN2
SCHEMBL616607 0.79 LRRK2 (0.43) HTTSMN1; SMN2
SCHEMBL619238 0.78 TRPV1 (0.48) HTTSMN1; SMN2NAMPTTP53
SCHEMBL619847 0.78 EGLN1 (0.46) HTTSMN1; SMN2
SCHEMBL619737 0.78 HTT (0.45) HTTSMN1; SMN2

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
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US claimed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US claimed
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-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US 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
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 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 (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 PDE5A 35/4885HTT 4219/4885SMN1; SMN2 4137/4885

“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.