SCHEMBL247937

SCHEMBL247937

CC1(C)CCN(c2ccc(C#N)cc2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
ALK Q9UM73 6/20 0.38
PARP1 P09874 1/20 0.37
TNK1 Q13470 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
OPRD1 P41143 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL251355 0.82 SLC6A9 (0.45) FFAR4L3MBTL1ALDH1A1
SCHEMBL7295036 0.80 DRD2 (0.53) PARP1TNK1MAPTALDH1A1KDM4E
SCHEMBL1859720 0.78 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10233009 0.74 MAPT (0.35) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL250799 0.74 KDM4E (0.58) EGLN2KDM4EPOLB
SCHEMBL356713 0.71 GPR119 (0.54) EGLN2MAPTALDH1A1
SCHEMBL249582 0.69 SLC6A9 (0.45) FFAR4L3MBTL1ALDH1A1
SCHEMBL10233010 0.69 ALDH1A1 (0.45) FFAR4MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL249165 0.68 PDE3B (0.43) FFAR4L3MBTL1ALDH1A1KDM4E
SCHEMBL15831833 0.68 FFAR4 (0.56) FFAR4ALDH1A1KDM4ESLC6A2SLC6A4

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 7 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-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
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 FFAR4 424/4885ALK 2440/4885PARP1 3915/4885

“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.