SCHEMBL92633

SCHEMBL92633

CCC(F)(F)CN1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
CXCR4 P61073 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL27143635 0.83 SMN1; SMN2 (0.33) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
SCHEMBL29636425 0.79 KDM4E (0.31) ALDH1A1CHRM5CHRM3LMNA
SCHEMBL10034556 0.78 MEN1 (0.34) SMN1; SMN2POLBSIGMAR1ALDH1A1HTT
SCHEMBL92632 0.77 SIGMAR1 (0.38) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
SCHEMBL27141666 0.77 SIGMAR1 (0.38) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
SCHEMBL5652 0.77 POLB (0.38) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
SCHEMBL2102695 0.77 POLB (0.38) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
SCHEMBL14614393 0.76 SIGMAR1 (0.37) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
Hydrochloric Acid SCHEMBL29165085 0.76 SIGMAR1 (0.37) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1
Bromide SCHEMBL2121063 0.75 POLB (0.37) SMN1; SMN2POLBSIGMAR1CXCR4ALDH1A1

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-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4739/4885POLB 3346/4885SIGMAR1 326/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 SMN1; SMN2 4702/4885POLB 3839/4885SIGMAR1 371/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4787/4885POLB 3232/4885SIGMAR1 496/4885

“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.