SCHEMBL2452504

SCHEMBL2452504

c1ccc(Oc2ccc(C3CC4CCC(C3)N4)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
TNK2 Q07912 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
HAO1 Q9UJM8 1/20 0.38
KCNH2 Q12809 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
HTR1A P08908 1/20 0.35
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 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
SCHEMBL1334736 0.81 SLC6A4 (0.54) LTA4HSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1334733 0.81 SLC6A4 (0.54) LTA4HSLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL31615791 0.79 HTR1A (0.50) LTA4HPTGS2HRH3TNK2PDE10A
SCHEMBL2447916 0.75 HRH3 (0.41) LTA4HPTGS2HRH3TNK2MMP2
SCHEMBL11143982 0.74 PTGS2 (0.57) LTA4HPTGS2HRH3PDE10AKDM4E
SCHEMBL17609170 0.74 KDM4C (0.46) LTA4HPTGS2HRH3TNK2PDE10A
SCHEMBL1164763 0.73 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2889594 0.73 PTGS2 (0.48) LTA4HPTGS2HRH3TNK2PDE10A
SCHEMBL1164762 0.73 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6227963 0.71 KDM1A (0.53) SLC6A4SLC6A2SLC6A3KCNH2

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
US-8530477-B2 Tropane urea derivatives, preparation thereof and therapeutic application thereof as modulators of the activity of 11betaHSD1 SANOFI (FR) 2013-09-10 US disclosed
EP-2364311-B1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI SA (FR) 2013-07-03 EP disclosed
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2011-12-01 US disclosed
EP-2364311-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI (FR) 2011-09-14 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 WO 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-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 HSD11B1, HSD17B1, HSD17B11 LTA4H 190/4885PTGS2 1116/4885HRH3 447/4885

“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.