SCHEMBL20076261

SCHEMBL20076261

CCN1CCN(CCCC(C)(C)CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL18737015 0.88 CHRM4 (0.44) KDM1AGNAI3GNAO1GNAI1CHRM4
SCHEMBL14330956 0.87 PKM (0.34) KDM1AKDM4EALDH1A1
SCHEMBL18737047 0.85 HRH3 (0.46) MAPK1CHRM4CHRM5CHRM3KDM4E
SCHEMBL20076264 0.84 ALDH1A1 (0.39) MAPK1RAB9AGNAI3GNAO1GNAI1
SCHEMBL18649626 0.83 HRH3 (0.50) MAPK1CHRM4CHRM5CHRM3KDM4E
SCHEMBL15183482 0.83 KDM1A (0.38) KDM1AMAPK1RAB9AGNAI3GNAO1
SCHEMBL19861401 0.82 PAOX (0.43) GNAI3GNAO1GNAI1CHRM4CHRM5
SCHEMBL19861182 0.82 CXCR4 (0.47) KDM1AGNAI3GNAO1GNAI1CHRM4
SCHEMBL19861431 0.81 ALDH1A1 (0.37) GNAI3GNAO1GNAI1CHRM4CHRM5
SCHEMBL18410958 0.80 SMN1; SMN2 (0.48) MAPK1KDM4EALDH1A1CHRM2CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 KDM1A 3589/4885MAPK1 909/4885RAB9A 4712/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 KDM1A 3567/4885MAPK1 1050/4885RAB9A 4724/4885

“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.