SCHEMBL3545834

SCHEMBL3545834

O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SCD5 Q86SK9 5/20 0.52
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
HSD11B1 P28845 4/20 0.51
SPR P35270 1/20 0.49
SCD O00767 2/20 0.48
ATM Q13315 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46

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
SCHEMBL3542458 0.92 SCD5 (0.60) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL3553683 0.91 HSD11B1 (0.53) RAB9ANPC1LMNATP53MAPT
SCHEMBL3554021 0.90 HSD11B1 (0.57) RAB9ANPC1LMNATP53MAPT
SCHEMBL13501689 0.90 HSD11B1 (0.57) RAB9ANPC1LMNATP53MAPT
SCHEMBL13501728 0.90 HSD11B1 (0.57) RAB9ANPC1LMNATP53MAPT
SCHEMBL3542550 0.90 PROKR1 (0.50) LMNATP53MAPTHCRTR1HCRTR2
SCHEMBL3543132 0.89 HCRTR1 (0.56) RAB9ANPC1LMNATP53MAPT
SCHEMBL3546895 0.89 SCD5 (0.52) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL3552366 0.89 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2SCD5
SCHEMBL3546275 0.89 SCD5 (0.52) RAB9ANPC1TP53MAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 RAB9A 2914/4885NPC1 1594/4885LMNA 3047/4885

“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.