SCHEMBL19861182

SCHEMBL19861182

CCC(C)(C)CCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.47
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
GNAO1 P09471 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
GNAI3 P08754 4/20 0.39
GNAI1 P63096 4/20 0.39
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 1/20 0.35
SOD3 P08294 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL22877833 0.94 CXCR4 (0.48) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL20333391 0.88 SMN1; SMN2 (0.42) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL21015989 0.86 CXCR4 (0.46) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL18737047 0.83 HRH3 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20332788 0.82 MEN1 (0.40) CXCR4SIGMAR1SMN1; SMN2POLBMEN1
SCHEMBL20076261 0.82 KDM1A (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18649626 0.82 HRH3 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18737015 0.82 CHRM4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13304788 0.81 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL20076289 0.81 CXCR4 (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1

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 3 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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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 CXCR4 2586/4885CHRM2 4463/4885CHRM4 4808/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CXCR4 2243/4885CHRM2 4339/4885CHRM4 4780/4885

“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.