SCHEMBL771920

SCHEMBL771920

O=C(NCCC(=O)N1CCC2CCCCC2C1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.48
ITGA2B P08514 10/20 0.48
F2R P25116 8/20 0.48
CHRM1 P11229 2/20 0.47
HSD11B1 P28845 2/20 0.42
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38

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
SCHEMBL771720 0.99 ITGB3 (0.50) ITGB3ITGA2BF2RCHRM1HSD11B1
SCHEMBL770442 0.85 HSD11B1 (0.42) ITGB3ITGA2BF2RCHRM1HSD11B1
SCHEMBL771655 0.81 HSD11B1 (0.51) HSD11B1
SCHEMBL770559 0.80 ALDH1A1 (0.47) ITGB3ITGA2BF2RHSD11B1SMN1; SMN2
SCHEMBL17690726 0.80 HSD11B1 (0.38) ITGB3ITGA2BF2RHSD11B1
SCHEMBL771201 0.80 EPHX2 (0.42) ITGB3ITGA2BF2RHSD11B1EPHX1
SCHEMBL770017 0.79 ALDH1A1 (0.46) ITGB3ITGA2BF2RHSD11B1
SCHEMBL769788 0.78 NPC1 (0.52) ITGB3ITGA2BHSD11B1
SCHEMBL770400 0.78 GNAI3 (0.51) CHRM1HSD11B1
SCHEMBL770921 0.78 NPC1 (0.46) ITGB3ITGA2BF2RHSD11B1SMN1; SMN2

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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
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 (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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ITGB3 4856/4885ITGA2B 4854/4885F2R 1672/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ITGB3 4856/4885ITGA2B 4849/4885F2R 1671/4885

“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.