SCHEMBL12093552

SCHEMBL12093552

COc1ncc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
SLC13A5 Q86YT5 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SLC13A2 Q13183 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
RECQL P46063 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
NNMT P40261 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

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
SCHEMBL29823245 1.00 NOS3 (0.48) NOS3NOS1NOS2SLC13A5MKNK1
SCHEMBL7321441 0.79 MAPT (0.39) CCR1CCR5CCR8RECQLHTT
SCHEMBL10084731 0.79 ACHE (0.44) NOS3NOS1NOS2SLC13A5MKNK1
SCHEMBL16388761 0.77 NOS3 (0.45) NOS3NOS1NOS2SLC13A5CCR1
SCHEMBL1845695 0.77 SLC13A5 (0.37) NOS3NOS1NOS2SLC13A5MKNK1
SCHEMBL324255 0.77 SLC13A5 (0.40) NOS3NOS1NOS2SLC13A5MKNK1
SCHEMBL6954046 0.77 SMN1; SMN2 (0.47) RECQLHTTMAPTCASP1AURKA
SCHEMBL1020594 0.77 RECQL (0.35) RECQLHTTMAPTCASP1NNMT
SCHEMBL91467 0.77 MAPT (0.55) NOS3NOS1NOS2SLC13A5MKNK1
SCHEMBL324256 0.77 KDM4E (0.40) NOS3NOS1NOS2SLC13A5MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023122600-A1 PIPERAZINE INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2023-06-29 WO disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
EP-3612536-B1 OXEPINOPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3-KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2021-12-15 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-3524600-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS Sanofi (FR) 2019-08-14 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
WO-2008067644-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (9 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOS3 3565/4885NOS1 3670/4885NOS2 3639/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 NOS3 2875/4885NOS1 2964/4885NOS2 2764/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 NOS3 1543/4885NOS1 593/4885NOS2 1204/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 NOS3 2301/4885NOS1 2272/4885NOS2 3468/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 NOS3 2301/4885NOS1 2272/4885NOS2 3468/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A NOS3 1192/4885NOS1 1628/4885NOS2 1839/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A NOS3 2959/4885NOS1 3841/4885NOS2 4117/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 NOS3 2325/4885NOS1 2670/4885NOS2 3327/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NOS3 2398/4885NOS1 2646/4885NOS2 3383/4885

“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.