SCHEMBL2967148

SCHEMBL2967148

CC(O)c1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.50
CYP2A6 P11509 3/20 0.47
HSD17B2 P37059 1/20 0.44
PKM P14618 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR1A P08908 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL1095514 1.00 ALOX5 (0.55) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL12238609 0.85 ALOX5 (0.53) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL717441 0.83 ALOX5 (0.54) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL1105793 0.80 ALOX5 (0.55) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL2977121 0.80 ALOX5 (0.51) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL25462183 0.80 ALOX5 (0.51) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL24406257 0.80 ALOX5 (0.55) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL141272 0.80 ALOX5 (0.55) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL30239199 0.80 ALOX5 (0.55) ALOX5MAPTCYP2A6HSD17B2PKM
SCHEMBL19682789 0.80 ALOX5 (0.51) ALOX5MAPTCYP2A6HSD17B2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104328151-A Method for producing benzothiophene ethanol by using cells as catalyst UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-02-04 CN claimed
CN-104328151-A Method for producing benzothiophene ethanol by using cells as catalyst UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-02-04 CN disclosed
CN-104328151-A Method for producing benzothiophene ethanol by using cells as catalyst UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-02-04 CN disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-6784180-B2 INHIBITING THE REUPTAKE OF SEROTONIN AND ANTAGONIZING THE 5-HT1A RECEPTOR; AS ANTIDEPRESSANT OR TO POTENTIATE EFFECTS OF ANOTHER SSRI ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1250336-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2004-05-12 EP disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 ALOX5 2260/4885MAPT 3211/4885CYP2A6 24/4885
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 ALOX5 171/4885MAPT 4791/4885CYP2A6 901/4885

“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.