SCHEMBL568994

SCHEMBL568994

Cc1ccc2c(c1)C(=O)CC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.55
KDM4E B2RXH2 5/20 0.45
ATM Q13315 3/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.42
METAP1 P53582 1/20 0.41
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BRD4 O60885 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3368868 0.85 PGR (0.69) PGRKDM4EATMHTTRAD52
SCHEMBL6992256 0.81 ALDH1A1 (0.42) PGRKDM4EATMHTTMETAP1
SCHEMBL484599 0.79 PDE4B (0.46) PGRCA1CA2CA4CA7
SCHEMBL7565951 0.79 PGR (0.44) PGRHTTACHECA1CA2
SCHEMBL6562466 0.79 PGR (0.44) PGRHTTCA9ALDH1A1HPGD
SCHEMBL13189991 0.79 PGR (0.44) PGRKDM4EHTTALDH1A1HPGD
SCHEMBL17922578 0.79 TDP2 (0.46) PGRKDM4EHTTALDH1A1HPGD
SCHEMBL30353273 0.79 PGR (0.44) PGRHTTCA9ALDH1A1HPGD
SCHEMBL26650123 0.79 PGR (0.56) PGRPARP1PARP10MAOAMAOB
SCHEMBL6937210 0.79 MAPT (0.54) PGRKDM4ECA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 US disclosed
US-20070185057-A1 Novel Indanone Compounds SYMRISE GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US disclosed
EP-1334972-B1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER (US) 2006-04-19 EP disclosed
EP-1310240-B1 6-Alkylindane-1-ones as perfuming agents BELL FLAVORS & FRAGANCES GMBH (DE) 2005-10-19 EP disclosed
US-6833372-B2 A hormone inhibitors of gonadotropin releasing hormone, an antigonadotropins, new drug compound contains a furanyl 2-carboxylic acid -(2,4-dimethoxy-pyrimidin-5-yl)-amide groups PFIZER, INC. 2004-12-21 US disclosed
WO-2002038537-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2002-05-16 WO disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6153175-A Indanylidene compounds, a process for their preparation and their use as UV absorbers HAARMANN & REIMER GMBH (DE) 2000-11-28 US disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
US-5965066-A HIGH PROTECTION AGAINST BOTH UV-A AND UV-B RAYS AT LOW CONCENTRATIONS; RADIATION AND HEAT RESISTANCE; SUNSCREEN AGENTS; COSMETICS FOR SKIN AND HAIR HAARMANN & REIMER GMBH (DE) 1999-10-12 US disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed
EP-0657426-B1 Tricyclic pyrrole derivatives HOFFMANN LA ROCHE (CH) 1998-07-22 EP disclosed
EP-0823418-A2 Indanylidene derivatives, process for their preparation and their use as UV-absorbers HAARMANN & REIMER GMBH (DE) 1998-02-11 EP disclosed
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 US disclosed
EP-0657426-A2 Tricyclic pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 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 (3 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-20070185057-A1 Novel Indanone Compounds CUTA, NISCH, TYR PGR 3055/4885KDM4E 902/4885ATM 781/4885
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PGR 3708/4885KDM4E 1525/4885ATM 4275/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PGR 3708/4885KDM4E 1525/4885ATM 4275/4885

“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.