SCHEMBL2979728

SCHEMBL2979728

c1ccc(CN2CC3CCCC3c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
CACNA1G O43497 9/20 0.44
CACNA1H O95180 9/20 0.44
BRD4 O60885 3/20 0.44
CACNA1I Q9P0X4 8/20 0.42
ALDH1A1 P00352 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
ALOX12 P18054 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL17075097 0.85 SIGMAR1 (0.45) SIGMAR1CACNA1GCACNA1HBRD4CACNA1I
SCHEMBL13438553 0.79 SIGMAR1 (0.37) SIGMAR1ALDH1A1
SCHEMBL8266687 0.78 KDM4E (0.45) BRD4ALDH1A1SIRT1
SCHEMBL13438554 0.76 HRH1 (0.41) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL6508105 0.76 ALDH1A1 (0.59) ALDH1A1
SCHEMBL7496682 0.75 BRD4 (0.55) CACNA1GCACNA1HBRD4CACNA1ISIRT1
SCHEMBL7496685 0.75 BRD4 (0.55) CACNA1GCACNA1HBRD4CACNA1ISIRT1
Hydrochloric Acid SCHEMBL7504712 0.74 BRD4 (0.54) CACNA1GCACNA1HBRD4CACNA1ISIRT1
SCHEMBL7502809 0.73 ALOX12 (0.49) CACNA1GCACNA1HBRD4CACNA1ISIRT1
SCHEMBL7502803 0.73 ALOX12 (0.49) CACNA1GCACNA1HBRD4CACNA1ISIRT1

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
US-7781427-B2 Process for preparing quinoline compounds and products obtained therefrom WYETH LLC (US) 2010-08-24 US disclosed
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM WYETH (US) 2010-08-05 US disclosed
EP-1807428-A2 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM Wyeth (US) 2007-07-18 EP disclosed
US-20060122385-A1 Process for preparing quinoline compounds and products obtained therefrom WYETH (US) 2006-06-08 US disclosed
WO-2006052768-A2 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM WYETH (US) 2006-05-18 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 (2 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-20060122385-A1 Process for preparing quinoline compounds and products obtained therefrom NNMT, QTRT1, HNMT SIGMAR1 2811/4885CACNA1G 3454/4885CACNA1H 3544/4885
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM NNMT, QTRT1, HNMT SIGMAR1 2811/4885CACNA1G 3454/4885CACNA1H 3544/4885

“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.