SCHEMBL2938308

SCHEMBL2938308

C/C=C\Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ARG2 P78540 1/20 0.52
TOP1 P11387 1/20 0.47
EPHX1 P07099 1/20 0.44
IDO1 P14902 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
TP53 P04637 1/20 0.43
AGXT P21549 1/20 0.42
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 3/20 0.41
CYP2A6 P11509 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
ADORA2A P29274 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
SCHEMBL40701 1.00 MAOB (0.70) MAOBCA1CA2ARG2TOP1
SCHEMBL105172 1.00 MAOB (0.70) MAOBCA1CA2ARG2TOP1
Benzene SCHEMBL1226362 1.00 MAOB (0.70) MAOBCA1CA2ARG2TOP1
Benzene SCHEMBL1226361 1.00 MAOB (0.70) MAOBCA1CA2ARG2TOP1
Butane SCHEMBL28785258 0.93 MAOB (0.61) MAOBCA1CA2ARG2TOP1
Bicarbonate SCHEMBL32684914 0.91 MAOB (0.58) MAOBCA1CA2ARG2TOP1
Methenamine SCHEMBL9467271 0.87 MAOB (0.54) MAOBCA1CA2ARG2TOP1
SCHEMBL15466749 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL15466750 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL1524697 0.83 MAOB (1.00) MAOBCA1CA2ARG2TOP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
CN-1214860-C Composition and its preparation method KURARAY CO (JP) 2005-08-17 CN disclosed
US-6929787-B2 Composite and manufacturing method thereof KURARAY CO., LTD. (JP) 2005-08-16 US disclosed
CN-1381307-A Composition and its preparation method KURARAY CO (JP) 2002-11-27 CN disclosed
EP-1232788-A2 Composite product and manufacturing method thereof Kuraray Co., Ltd. (JP) 2002-08-21 EP disclosed
US-20020111269-A1 Composite and manufacturing method thereof KURARAY CO. LTD. (JP) 2002-08-15 US disclosed
US-4822937-A CATALYTIC ALKYLATION, THEN DEHYDROISOMERIZATION BP CHEMICALS LIMITED (GB) 1989-04-18 US disclosed
EP-0196165-B1 PROCESS FOR THE PRODUCTION OF ISOBUTYLBENZENES BP Chemicals Limited (GB) 1988-05-04 EP disclosed
EP-0196165-A1 Process for the production of isobutylbenzenes BP Chemicals Limited (GB) 1986-10-01 EP disclosed
WO-1986004892-A1 PROCESS FOR THE PRODUCTION OF ISOBUTYLBENZENES BP CHEMICALS LIMITED (GB) 1986-08-28 WO 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD MAOB 157/4885CA1 2395/4885CA2 1331/4885

“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.