SCHEMBL14744149

SCHEMBL14744149

c1ccc(C(NCCN2CCNCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
SIGMAR1 Q99720 3/20 0.49
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A4 P31645 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9704880 0.83 CYP2D6 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7672095 0.75 SIGMAR1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703876 0.74 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9413953 0.73 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9048454 0.72 DPP7 (0.73) CHRM2SIGMAR1ALDH1A1L3MBTL1ALOX15
SCHEMBL12264131 0.72 KIF11 (0.74) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL16176745 0.72 HTR7 (0.49) SIGMAR1ALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL8296146 0.71 DRD2 (0.61) HTR1A
SCHEMBL4494058 0.71 SIGMAR1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6136845 0.70 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3

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-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 EP disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 US disclosed
EP-2751127-A1 CYCLOSPORIN DERIVATIVES Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2014-07-09 EP disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 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-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX CHRM2 2811/4885CHRM4 2446/4885CHRM5 2403/4885

“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.