SCHEMBL2454639

SCHEMBL2454639

CC(C)(C)OC(=O)N1C2CCC1CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 3/20 0.48
LMNA P02545 2/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
CHRNA7 P36544 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2454638 1.00 POLB (0.71) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL31050717 1.00 POLB (0.71) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL26925068 0.94 POLB (0.65) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL29770758 0.90 POLB (0.60) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL4172065 0.84 GPR119 (0.53) POLBMAPTALDH1A1CYP2D6LMNA
SCHEMBL4167160 0.84 GPR119 (0.53) POLBMAPTALDH1A1CYP2D6LMNA
SCHEMBL4172068 0.84 GPR119 (0.53) POLBMAPTALDH1A1CYP2D6LMNA
SCHEMBL20594542 0.84 POLB (0.60) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL23086434 0.83 POLB (0.77) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL23086437 0.83 POLB (0.77) POLBPTPN2PTPN1MAPTALDH1A1

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 10 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
EP-1960383-B1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1960383-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-7388095-B2 5-substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007063000-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. 2007-05-31 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-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HRH4, HRH3, HCAR2 POLB 4492/4885PTPN2 2233/4885PTPN1 2395/4885
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 HSD11B1, HSD17B1, HSD17B11 POLB 2155/4885PTPN2 4720/4885PTPN1 4571/4885

“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.