SCHEMBL251473

SCHEMBL251473

CC1(C)CCN(c2ccc(CNC(=O)O)cc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
DRD4 P21917 5/20 0.39
TP53 P04637 2/20 0.39
RORC P51449 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL10278543 0.85 NSD2 (0.42) ALDH1A1MEN1USP2MAPTHPGD
SCHEMBL250300 0.84 MAPT (0.41) MAPTKMT2ALMNATP53
SCHEMBL14845787 0.84 P2RX3 (0.37) FFAR4ALDH1A1MEN1USP2MAPT
SCHEMBL10233010 0.80 ALDH1A1 (0.45) FFAR4ALDH1A1MEN1USP2MAPT
Hydrochloric Acid SCHEMBL249688 0.78 CSF1R (0.39) FFAR4ALDH1A1MEN1USP2MAPT
SCHEMBL249626 0.78 KMT2A (0.47) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL616635 0.77 HTT (0.39) P2RX3P2RX2
SCHEMBL23201124 0.69 TRPV4 (0.46) FFAR4
SCHEMBL15831833 0.69 FFAR4 (0.56) FFAR4ALDH1A1HPGDLMNADRD4
SCHEMBL1936344 0.69 TRPV1 (0.54) ALDH1A1MEN1MAPTHPGDKMT2A

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 FFAR4 424/4885ALDH1A1 468/4885MEN1 3494/4885

“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.