SCHEMBL2360324

SCHEMBL2360324

O=[C]c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.65
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
KCNJ1 P48048 1/20 0.55
HPGD P15428 1/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
AOC3 Q16853 1/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
AKR1C3 P42330 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL27914428 0.95 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27914441 0.95 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27896900 0.91 HIF1A (0.62) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL15467001 0.84 HRH3 (0.87) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL13244556 0.82 HRH3 (0.56) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL155961 0.82 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL578590 0.82 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL15904021 0.82 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27896937 0.81 SIGMAR1 (0.54) HRH3KCNJ1AOC3
SCHEMBL27914458 0.81 HRH3 (0.59) HRH3ALDH1A1HPGDMMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP claimed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN claimed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP claimed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN claimed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
EP-1858898-B1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA SA (FR) 2009-08-26 EP disclosed
EP-1858898-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2007-11-28 EP disclosed
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 WO disclosed
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 US disclosed
EP-0767798-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-04-16 EP disclosed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
WO-1996000235-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-01-04 WO disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B HRH3 3595/4885SMN1; SMN2 2427/4885ALDH1A1 2659/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B HRH3 3595/4885SMN1; SMN2 2427/4885ALDH1A1 2659/4885

“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.