SCHEMBL6792963

SCHEMBL6792963

COc1nccc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.48
NOS2 P35228 4/20 0.48
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
APLNR P35414 1/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOS1 P29475 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAOA P21397 1/20 0.34
SSTR4 P31391 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL14247814 0.88 NOS3 (0.44) NOS3NOS2CCR1CCR5CCR8
SCHEMBL4074890 0.79 ALDH1A1 (0.44) CCR1CCR5CCR8APLNRGAA
SCHEMBL23624004 0.79 CCR1 (0.38) NOS3NOS2CCR1CCR5CCR8
SCHEMBL26361648 0.79 MAOA (0.41) NOS3NOS2CCR1CCR5CCR8
SCHEMBL16231386 0.77 HPGD (0.50) NOS3NOS2CCR1CCR5CCR8
SCHEMBL7899151 0.77 AURKA (0.44) NOS3NOS2CCR1CCR5CCR8
SCHEMBL5942324 0.77 DRD1 (0.39) NOS3NOS2CCR1CCR5CCR8
SCHEMBL22972330 0.77 TRPA1 (0.37) NOS3NOS2CCR1CCR5CCR8
SCHEMBL22928459 0.77 CYP3A4 (0.37) NOS3NOS2CCR1CCR5CCR8
SCHEMBL18686677 0.77 SMN1; SMN2 (0.37) NOS3NOS2CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 WO disclosed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-20230322675-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. 2023-10-12 US disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
WO-2012055034-A1 SULFONAMIDES AS HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2012-05-03 WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed
CN-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 CN disclosed
CN-1960975-A Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors AVENTIS PHARMA INC (US) 2007-05-09 CN disclosed
CN-1511140-A Oxime ether compound and agricultural or horticultural bactericide �ձ�������ʽ���� 2004-07-07 CN disclosed
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 CN disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 EP disclosed
CN-1085218-C Olefin polymerization catalyst ASAHI CHEMICAL IND (JP) 2002-05-22 CN 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-20230322675-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR2, LPAR1, LPAR6 NOS3 4474/4885NOS2 4630/4885CCR1 1481/4885
US-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 NOS3 1405/4885NOS2 1528/4885CCR1 3371/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NOS3 2903/4885NOS2 3406/4885CCR1 3965/4885

“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.