SCHEMBL20333391

SCHEMBL20333391

CCC(C)(C)CCN1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
CXCR4 P61073 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
RAD52 P43351 1/20 0.35
GNAO1 P09471 4/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
GNAI3 P08754 3/20 0.33
GNAI1 P63096 3/20 0.33
MAPT P10636 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
SCHEMBL19861182 0.88 CXCR4 (0.47) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL22877833 0.86 CXCR4 (0.48) SMN1; SMN2POLBCXCR4SIGMAR1MEN1
SCHEMBL20332788 0.85 MEN1 (0.40) SMN1; SMN2POLBCXCR4SIGMAR1MEN1
SCHEMBL20333681 0.85 SMN1; SMN2 (0.41) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL23542127 0.83 SMN1; SMN2 (0.42) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL18403180 0.82 CARM1 (0.39) LMNACHRM2CHRM1
SCHEMBL26941346 0.82 GNAO1 (0.42) SMN1; SMN2POLBCXCR4SIGMAR1CHRM5
SCHEMBL20332563 0.81 MEN1 (0.45) SMN1; SMN2POLBCXCR4SIGMAR1HSD17B10
SCHEMBL19573431 0.80 RAB9A (0.38) SIGMAR1ALDH1A1LMNACHRM5CHRM3
SCHEMBL24800863 0.80 CACNA1I (0.31) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 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 (6 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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC SMN1; SMN2 2160/4885POLB 1888/4885CXCR4 2064/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B SMN1; SMN2 781/4885POLB 3989/4885CXCR4 3546/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC SMN1; SMN2 2160/4885POLB 1888/4885CXCR4 2064/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SMN1; SMN2 4652/4885POLB 3658/4885CXCR4 181/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SMN1; SMN2 4652/4885POLB 3658/4885CXCR4 181/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 SMN1; SMN2 2503/4885POLB 1786/4885CXCR4 2061/4885

“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.