SCHEMBL771078

SCHEMBL771078

CN1CCN(C(=O)CCCC(=O)N2CCC3CCCC=C3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
RAD52 P43351 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NAMPT P43490 1/20 0.37
KDM1A O60341 2/20 0.37
MCHR1 Q99705 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL770448 0.95 SMN1; SMN2 (0.44) NPC1GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL769789 0.91 NPC1 (0.42) NPC1GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL770894 0.90 KDM1A (0.39) SMN1; SMN2HTTKMT2AALDH1A1LMNA
SCHEMBL769712 0.89 NPC1 (0.57) NPC1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL770997 0.89 ATM (0.47) NPC1SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL770401 0.88 LMNA (0.39) NPC1GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL769997 0.86 NPC1 (0.54) NPC1GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL770381 0.86 ITGB3 (0.41) NPC1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL771969 0.86 KMT2A (0.44) NPC1SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL771656 0.86 MAPK1 (0.36) NPC1SMN1; SMN2HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 97/4885GNAI3 1627/4885GNAO1 1017/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885GNAI3 1551/4885GNAO1 1029/4885

“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.