SCHEMBL771240

SCHEMBL771240

O=C(CCCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O)N1CCC2CCCC=C2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 10/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 5/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR1 P03372 1/20 0.38
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL771366 0.94 MAPK1 (0.52) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL769681 0.89 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL770679 0.86 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL770301 0.82 MAPK1 (0.64) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL771730 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL771060 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL771359 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL769789 0.80 NPC1 (0.42) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL770401 0.80 LMNA (0.39) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL771428 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 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 SMN1; SMN2 3653/4885ALDH1A1 144/4885MAPT 618/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885ALDH1A1 142/4885MAPT 638/4885

“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.