SCHEMBL3731571

SCHEMBL3731571

C(=CN1CCCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.43
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PARP1 P09874 1/20 0.42
LTA4H P09960 2/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL31547213 1.00 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5311679 1.00 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6516804 0.98 KMT2A (0.48) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6516806 0.98 KMT2A (0.48) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28546334 0.88 MAOB (0.50) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL5572239 0.88 MAOB (0.50) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL31547242 0.81 RAB9A (0.43) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL16825154 0.79 NFE2L2 (0.57) MAPTSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL13041010 0.78 SIGMAR1 (0.58) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL22230801 0.78 GPR183 (0.43) SMN1; SMN2NPC1RAB9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850378-B Preparation method of fenspiride SHANDONG CHENGCHUANG MEDICAL TECHNOLOGY DEV CO LTD 2013-12-11 CN claimed
CN-102850378-A Preparation method of fenspiride SHANDONG CHENGCHUANG MEDICAL TECHNOLOGY DEV CO LTD 2013-01-02 CN claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
CN-102099358-B Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2014-01-22 CN disclosed
CN-102850378-B Preparation method of fenspiride SHANDONG CHENGCHUANG MEDICAL TECHNOLOGY DEV CO LTD 2013-12-11 CN disclosed
CN-102850378-A Preparation method of fenspiride SHANDONG CHENGCHUANG MEDICAL TECHNOLOGY DEV CO LTD 2013-01-02 CN disclosed
CN-102099358-A Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2011-06-15 CN disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed
CN-1019973-C Piperidine derivative and pharmaceutical composition containing the same EISAI CO LTD (JP) 1993-03-03 CN disclosed
US-4734351-A DISPERSION OF POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1988-03-29 US disclosed
CN-87100928-A Piperidine derivatives and pharmaceutical compositions thereof 1987-09-09 CN 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R HSP90AA1 4582/4885KMT2A 4121/4885MEN1 202/4885

“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.