SCHEMBL2115194

SCHEMBL2115194

O=[N+]([O-])C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PDPK1 O15530 1/20 0.44
HTR6 P50406 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIN1 Q13526 1/20 0.40
ACP3 P15309 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SRD5A1 P18405 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL30150914 1.00 IDO1 (0.44) IDO1PDPK1HTR6CA1CA2
SCHEMBL2773405 0.89 ALDH1A1 (0.49) IDO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3114732 0.81 HTR2A (0.42) IDO1PDPK1HTR6CA1CA2
SCHEMBL29024729 0.79 RAB9A (0.46) IDO1PDPK1HTR6CA1CA2
SCHEMBL4609282 0.78 PDPK1 (0.47) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL2215028 0.78 CYP19A1 (0.46) KDM4EALDH1A1SIGMAR1RAB9A
SCHEMBL5083382 0.74 PDPK1 (0.47) IDO1PDPK1HTR6CYP11B2PIN1
SCHEMBL28118233 0.74 ESR2 (0.47) CA1CA2
SCHEMBL11118897 0.74 PDPK1 (0.56) PDPK1HTR6CA1CA2KDM4E
SCHEMBL3348739 0.72 ACP3 (0.41) IDO1PDPK1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103910718-B Double cyclosubstituted pyrazolone azo compounds, preparation method and use 齐鲁制药有限公司 2018-08-14 CN disclosed
CN-103619814-A Novel amino-pyrroline derivatives and their use in the prevention and/or treatment of metabolic syndrome UNIV STRASBOURG 2014-03-05 CN disclosed
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
CN-103153989-A Cathepsin s inhibitor compounds LILLY CO ELI 2013-06-12 CN disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-6949575-B2 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives PFIZER INC. (US) 2005-09-27 US disclosed
EP-1284958-B1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOIDANE DERIVATIVES WARNER LAMBERT CO (US) 2005-09-14 EP disclosed
US-20030220382-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives BARTA NANCY SUE (US) 2003-11-27 US disclosed
EP-1284958-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOIDANE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-02-26 EP disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
WO-2001083425-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOINDANE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-08 WO disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 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 (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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV IDO1 1372/4885PDPK1 2540/4885HTR6 4307/4885
US-20030220382-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives APP, APBA1, PSEN1 IDO1 407/4885PDPK1 3204/4885HTR6 1518/4885

“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.