SCHEMBL802573

SCHEMBL802573

O=C(CCNC(=O)N1CCC2CCCCC2C1)C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
LMNA P02545 2/20 0.41
HSD11B1 P28845 2/20 0.41
EPHX2 P34913 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2R P25116 2/20 0.37
HTT P42858 1/20 0.36
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 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
SCHEMBL770442 0.82 HSD11B1 (0.42) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL770918 0.82 ITGB3 (0.45) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL772269 0.82 ATM (0.44) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL770761 0.82 ATM (0.44) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL771875 0.82 ATM (0.44) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL770719 0.80 EPHX2 (0.46) CHRM1LMNAHSD11B1EPHX2ITGB3
SCHEMBL794632 0.78 EPHX2 (0.47) CHRM1LMNAHSD11B1EPHX2KDM4E
SCHEMBL10138022 0.77 ALDH1A1 (0.41) CHRM1LMNAHSD11B1ITGB3ITGA2B
SCHEMBL770904 0.76 HSD11B1 (0.50) HSD11B1ITGB3ITGA2BHTTMBTD1
SCHEMBL770235 0.76 NPC1 (0.49) CHRM1LMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CHRM1 3021/4885LMNA 3116/4885HSD11B1 1/4885

“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.