SCHEMBL6160925

SCHEMBL6160925

Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
PIK3CA P42336 2/20 0.54
MTOR P42345 2/20 0.54
PRKDC P78527 1/20 0.54
GPR119 Q8TDV5 2/20 0.51
CYP3A4 P08684 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCD Q05655 1/20 0.51
OPRM1 P35372 3/20 0.50
OGFRL1 Q5TC84 3/20 0.50
OPRD1 P41143 2/20 0.50
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL26697988 0.89 OPRM1 (0.54) HSD11B1PIK3CAMTORPRKDCGPR119
SCHEMBL29171247 0.85 PIK3CA (0.52) HSD11B1PIK3CAMTORPRKDCGPR119
SCHEMBL8063089 0.85 OPRM1 (0.50) GPR119CYP3A4PRKCGPRKCBPRKCA
SCHEMBL17803254 0.85 HSD11B1 (0.61) HSD11B1PIK3CAMTORPRKDCKDM4E
SCHEMBL7596262 0.84 OPRM1 (0.49) PIK3CAMTORPRKDCGPR119CYP3A4
SCHEMBL3764320 0.84 PIK3CA (0.51) HSD11B1PIK3CAMTORPRKDCGPR119
SCHEMBL10145862 0.84 PIK3CA (0.51) HSD11B1PIK3CAMTORPRKDCGPR119
SCHEMBL3098947 0.83 CYP2D6 (0.57) GPR119CYP3A4PRKCGPRKCBPRKCA
SCHEMBL11030825 0.83 CHRM2 (0.51) PIK3CAMTORPRKDCGPR119PRKCG
SCHEMBL8103415 0.83 OPRL1 (0.53) GPR119OPRM1KDM4EPKM

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
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-7879880-B2 such as [4-[(2-aminopyridin-4-yl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylamino)phenyl]methanone, used for the treatment of inflammatory diseases, allergic conditions, diabetes, obesity, metabolic syndrome, cognition disorder, cardiovascular and nervous system disorders SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
WO-2007142584-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007075688-A2 SUBSTITUTED ANILINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 WO disclosed
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists SCHERING CORPORATION 2007-06-21 US disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 HSD11B1 525/4885PIK3CA 407/4885MTOR 61/4885
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists HRH3, CHRM2, HCRTR2 HSD11B1 650/4885PIK3CA 3744/4885MTOR 1866/4885
US-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 HSD11B1 2238/4885PIK3CA 3804/4885MTOR 4435/4885

“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.