SCHEMBL463214

SCHEMBL463214

CC(=O)OC(C)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 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
SCHEMBL387358 1.00 TSHR (0.46) TSHRCPN1CPB2SLC6A2SLC6A4
SCHEMBL6050318 0.84
SCHEMBL6656428 0.82 CPN1 (0.39) TSHRCPN1CPB2SLC6A2SLC6A4
SCHEMBL6050056 0.80 CPN1 (0.45) TSHRCPN1CPB2MAPTSMN1; SMN2
SCHEMBL28771692 0.79 CPN1 (0.41) TSHRCPN1CPB2SLC6A2SLC6A4
SCHEMBL27742722 0.79 CPN1 (0.37) TSHRCPN1CPB2SLC6A2SLC6A4
SCHEMBL873507 0.78 TSHR (0.50) TSHREPHX1SMN1; SMN2LMNA
SCHEMBL1051503 0.78 TSHR (0.50) TSHREPHX1SMN1; SMN2LMNA
SCHEMBL6559706 0.78 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11170830 0.78 TSHR (0.50) TSHREPHX1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
CN-101035765-B Sulfonamide derivatives HOFFMANN LA ROCHE 2010-10-13 CN disclosed
US-7781443-B2 cholesteryl ester transfer protein (CETP) anatgonists such as 2R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]-[5-(morpholin-4-yl)pyrimidin-2-yl]}amino-2-ethyl-6-methoxy-3,4-dihydro-2H-[1,5]naphthyridine-1-carboxylic acid ethyl ester, having improved bioavailability MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-24 US disclosed
CN-101747324-A Sulfonamide derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
CN-100591679-C Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
CN-101365693-A Selected CGRP antagonists, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM INT (DE) 2009-02-11 CN disclosed
CN-100441579-C Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2008-12-10 CN disclosed
CN-101035765-A Sulfonamide derivatives HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
CN-1938301-A Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2007-03-28 CN disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
EP-1732924-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2006-12-20 EP disclosed
CN-1860117-A Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-08 CN disclosed
CN-1856490-A Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-01 CN disclosed
WO-2005095395-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2005-10-13 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-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 TSHR 386/4885CPN1 1257/4885CPB2 2508/4885

“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.