SCHEMBL3741604

SCHEMBL3741604

CCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
BCHE P06276 1/20 0.35
CTDSP1 Q9GZU7 2/20 0.34
NPY2R P49146 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MDM2 Q00987 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL3741600 1.00 ELANE (0.35) ELANEBCHECTDSP1NPY2RKMT2A
SCHEMBL3741605 1.00 ELANE (0.35) ELANEBCHECTDSP1NPY2RKMT2A
SCHEMBL4389843 0.87 POLB (0.35) NPY2RKMT2AALDH1A1KDM4ERAB9A
SCHEMBL3730540 0.82 CHRM3 (0.34) KMT2ALMNAMEN1CHRM2CHRM3
SCHEMBL3730542 0.82 CHRM3 (0.34) KMT2ALMNAMEN1CHRM2CHRM3
SCHEMBL3730538 0.82 CHRM3 (0.34) KMT2ALMNAMEN1CHRM2CHRM3
SCHEMBL3741539 0.82 CTDSP1 (0.38) BCHECTDSP1KMT2AALDH1A1KDM4E
SCHEMBL3741543 0.82 CTDSP1 (0.38) BCHECTDSP1KMT2AALDH1A1KDM4E
SCHEMBL3741546 0.82 CTDSP1 (0.38) BCHECTDSP1KMT2AALDH1A1KDM4E
SCHEMBL4387101 0.82 ALDH1A1 (0.42) KMT2AALDH1A1KDM4ERAB9AMEN1

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-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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 (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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 ELANE 178/4885BCHE 1630/4885CTDSP1 2423/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ELANE 1454/4885BCHE 436/4885CTDSP1 2722/4885

“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.