SCHEMBL104766

SCHEMBL104766

Cc1nc(C)c(C(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12179243 0.80 LMNA (0.31) COMTLMNAHTTRAB9A
SCHEMBL9647195 0.80 LMNA (0.34) COMTLMNAHTT
SCHEMBL20738506 0.80 LMNA (0.31) COMTLMNAHTT
SCHEMBL15071161 0.77
SCHEMBL21610904 0.77 LMNA (0.31) COMTLMNAHTTNPC1ALDH1A1
SCHEMBL13982880 0.77 LMNA (0.31) COMTLMNAHTTNPC1ALDH1A1
SCHEMBL798478 0.77
SCHEMBL11292151 0.77 NPC1 (0.30) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL24399797 0.77 COMT (0.33) COMT
SCHEMBL22624155 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 US disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
WO-2023227696-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-6579553-B1 Reaction product cysteine, hydrogen sulfide, ammonium sulfide and extracellular liquid fusarium extracts used as food flavors ZENECA LIMITED (GB) 2003-06-17 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 (11 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 COMT 4529/4885LMNA 170/4885HTT 3632/4885
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN COMT 1000/4885LMNA 3489/4885HTT 3874/4885
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R COMT 516/4885LMNA 3283/4885HTT 169/4885
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 COMT 1452/4885LMNA 2323/4885HTT 2216/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 COMT 3377/4885LMNA 671/4885HTT 3878/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 COMT 583/4885LMNA 3795/4885HTT 3857/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT COMT 2572/4885LMNA 2516/4885HTT 1029/4885
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A COMT 115/4885LMNA 1207/4885HTT 2909/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 COMT 3629/4885LMNA 770/4885HTT 727/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS COMT 2726/4885LMNA 3781/4885HTT 4721/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 COMT 1929/4885LMNA 4604/4885HTT 3607/4885

“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.