SCHEMBL857555

SCHEMBL857555

O=C(O)CCc1c[nH]c2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
GPR84 Q9NQS5 1/20 0.61
MET P08581 1/20 0.57
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.49
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
CAMKK2 Q96RR4 1/20 0.49
MAP2K1 Q02750 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
PARP1 P09874 1/20 0.48
GSK3B P49841 1/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ADORA2A P29274 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29773007 1.00 MTNR1A (0.64) MTNR1AGPR84METKMT2APOLB
SCHEMBL27750327 0.87 MTNR1A (0.63) MTNR1AGPR84METKMT2APOLB
SCHEMBL368017 0.84 GPR84 (0.65) MTNR1AGPR84METKMT2AHDAC1
SCHEMBL30526532 0.84 MTNR1A (0.64) MTNR1AGPR84METKMT2APOLB
SCHEMBL19051559 0.83 MTNR1A (0.66) MTNR1AGPR84METKMT2AHDAC1
SCHEMBL857490 0.83 MET (0.59) MTNR1AGPR84METKMT2APOLB
SCHEMBL2437619 0.81 GPR84 (0.69) MTNR1AGPR84METKMT2AHDAC1
SCHEMBL7010590 0.80 GPR84 (0.73) MTNR1AGPR84METKMT2ACCNE1
SCHEMBL31553577 0.79 GRM8 (0.58) MTNR1AGPR84METKMT2AHDAC1
SCHEMBL30526534 0.79 MTNR1A (0.60) MTNR1AGPR84METKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197666-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. (US) 2024-06-20 US disclosed
EP-4313095-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-Gen Therapeutics, Inc. (US) 2024-02-07 EP disclosed
CN-117098544-A Diterpenoid compounds acting on Protein Kinase C (PKC) K-GEN治疗股份有限公司 2023-11-21 CN disclosed
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION RA PHARMACEUTICALS, INC. (US) 2023-09-28 US disclosed
US-20230076411-A1 LASSO PEPTIDES FOR TREATMENT OF CANCER LASSOGEN, INC. 2023-03-09 US disclosed
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. 2022-12-29 US disclosed
EP-4041268-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-Gen, Inc. (US) 2022-08-17 EP disclosed
WO-2021062030-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN, INC. (US) 2021-04-01 WO disclosed
US-20210040066-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-11 US disclosed
EP-3750886-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-12-16 EP disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
CN-1845898-A PPAR active compounds PLEXXIKON INC (US) 2006-10-11 CN disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 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 (8 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885GPR84 112/4885MET 593/4885
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION PCSK9, LDLR, PCSK7 MTNR1A 1458/4885GPR84 733/4885MET 554/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885GPR84 112/4885MET 593/4885
US-20230076411-A1 LASSO PEPTIDES FOR TREATMENT OF CANCER EDNRB, EDNRA, VIP MTNR1A 624/4885GPR84 284/4885MET 1251/4885
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCH, PRKCB MTNR1A 3132/4885GPR84 2613/4885MET 877/4885
US-20210040066-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PDE4B, PDE7B, PDE4A MTNR1A 4177/4885GPR84 1594/4885MET 4848/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MTNR1A 488/4885GPR84 112/4885MET 593/4885
US-20240197666-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCB, PRKCI MTNR1A 4204/4885GPR84 2050/4885MET 2936/4885

“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.