SCHEMBL3306199

SCHEMBL3306199

CCCCOC(=O)N1CCC(NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.45
F2 P00734 1/20 0.45
F11 P03951 1/20 0.45
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40

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
SCHEMBL3448933 0.81 F10 (0.47) F10F2F11KDM4EHPGD
SCHEMBL3449130 0.81 USP30 (0.55) F10ALDH1A1MAPTCNR1CNR2
SCHEMBL3449128 0.81 USP30 (0.55) F10ALDH1A1MAPTCNR1CNR2
SCHEMBL3305464 0.79 F10 (0.51) F10F2HPGDALDH1A1SMN1; SMN2
SCHEMBL3305467 0.79 F10 (0.51) F10F2HPGDALDH1A1SMN1; SMN2
SCHEMBL8259236 0.77 F10 (0.50) F10F2HPGDALDH1A1SMN1; SMN2
SCHEMBL15530808 0.77 MMP13 (0.39) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15530508 0.76 GLS (0.43)
SCHEMBL7492247 0.75 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2LMNATP53
SCHEMBL3447170 0.75 F10 (0.50) F10F2F11KDM4EHPGD

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-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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 (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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD F10 2924/4885F2 820/4885F11 2796/4885

“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.