SCHEMBL234450

SCHEMBL234450

CCOC(=O)C1CCCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
MAPT P10636 2/20 0.37
FKBP1A P62942 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1049438 0.94 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL6050484 0.86 PPM1B (0.41) ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL1826045 0.83 ALDH1A1 (0.40) ALDH1A1ATML3MBTL1
SCHEMBL7293847 0.82 NAAA (0.40)
SCHEMBL28713959 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL7296422 0.80 NAAA (0.42)
SCHEMBL7286186 0.80 PPM1B (0.41) ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL1219868 0.79 SMN1; SMN2 (0.37) ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL3362858 0.79 SMN1; SMN2 (0.37) ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL4574683 0.77 ALDH1A1 (0.41) ALDH1A1PPM1BPTPN1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO claimed
EP-2814822-A1 NOVEL PYRROLIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP claimed
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP claimed
US-8802665-B2 Pyrrolidine derivatives GENENTECH, INC. (US) 2014-08-12 US claimed
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-08-22 US claimed
WO-2013120921-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US claimed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP claimed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
WO-2000033836-A1 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORPORATION (US) 2000-06-15 WO claimed
US-5340823-A Administering a muscle relaxants for treating parkinson*s disease RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1994-08-23 US claimed
EP-0538380-A1 NEMATICIDAL N-(SULFONYL)PHOSPHONAMIDOTHIOATES AND DITHIOATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-28 EP claimed
WO-1992000673-A1 NEMATICIDAL N-(SULFONYL)PHOSPHONAMIDOTHIOATES AND DITHIOATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-23 WO claimed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US claimed
US-4804654-A INSECTICIDES, MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US claimed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 EP claimed
US-4021551-A INDUCERS FOR INTERFERON FORMATION BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US claimed

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-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, ADCYAP1R1, AVPR1A ALDH1A1 121/4885MEN1 917/4885KMT2A 3498/4885

“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.