SCHEMBL771609

SCHEMBL771609

O=C(CCCCBr)N1CCC2CCCC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NAMPT P43490 1/20 0.34
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 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
SCHEMBL770401 0.93 LMNA (0.39) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL771910 0.91 ALDH1A1 (0.42) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL769789 0.91 NPC1 (0.42) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL770768 0.88 ITGB3 (0.41) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL771969 0.88 KMT2A (0.44) ALDH1A1HPGDHTTSMN1; SMN2NPC1
SCHEMBL771656 0.88 MAPK1 (0.36) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL771214 0.87 ITGB3 (0.38) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL770204 0.87 HDAC3 (0.42) LMNAALDH1A1HPGDMAPK1MAPT
SCHEMBL770338 0.86 GLA (0.42) ALDH1A1NPC1NAMPTMEN1KMT2A
SCHEMBL769997 0.86 NPC1 (0.54) LMNAALDH1A1HPGDMAPTSMN1; 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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP 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 (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 LMNA 3116/4885ALDH1A1 142/4885HPGD 50/4885

“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.