SCHEMBL1241323

SCHEMBL1241323

CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
SRC P12931 8/20 0.39
ABCB1 P08183 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2386707 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL21286125 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL1241324 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL19964151 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL142689 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL139880 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL20312947 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL1372634 1.00 NR1H2 (0.42) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL30868937 0.97 NR1H2 (0.40) NR1H2SRCABCB1MEN1KMT2A
SCHEMBL6577745 0.92 NR1H2 (0.41) NR1H2SRCMEN1KMT2AALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 EP disclosed
US-9546173-B2 Substituted pyrrolo[3,4-d]pyrimidines as kinase inhibitors NOVARTIS AG (CH) 2017-01-17 US disclosed
EP-2897961-B1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-10-26 EP disclosed
US-20150274733-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-01 US disclosed
EP-2897961-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2015-07-29 EP disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP 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-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A NR1H2 2180/4885SRC 3918/4885ABCB1 600/4885
US-20150274733-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS MAP3K1, MAP3K2, BRAF NR1H2 1113/4885SRC 200/4885ABCB1 680/4885

“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.