SCHEMBL330033

SCHEMBL330033

CC(C)Nc1ccc2c(c1)CNC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10189462 0.86 HTR6 (0.51) HTR6DRD2DRD3
SCHEMBL19407006 0.78 DRD2 (0.42) HTR6DRD2DRD3ITGB3ITGA2B
SCHEMBL14017824 0.76 RAPGEF4 (0.51) HTR6ALDH1A1LMNATHRBL3MBTL1
SCHEMBL24783494 0.76 RAPGEF4 (0.47) HTR6ALDH1A1LMNATHRBL3MBTL1
SCHEMBL18421356 0.75 KIF11 (0.41) HTR6DRD2DRD3ITGB3ITGA2B
SCHEMBL3322054 0.75 PIK3CA (0.42) HTR6DRD2DRD3ITGB3ITGA2B
SCHEMBL531907 0.74 CYP1A2 (0.55) ITGB3ITGA2B
SCHEMBL12545626 0.74 KMT2A (0.67) ITGB3ITGA2BALDH1A1LMNARECQL
SCHEMBL9757319 0.73 DRD2 (0.46) HTR6DRD2DRD3ITGB3ITGA2B
SCHEMBL577929 0.73 TDP1 (0.39) HTR6TDP1ALDH1A1LMNACYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
CN-102020697-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication F. HOFFMANN-LA ROCHE LTD. (CH) 2014-10-29 CN disclosed
CN-103145715-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication HOFFMANN LA ROCHE 2013-06-12 CN disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
CN-102020697-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication INTERMUNE INC 2011-04-20 CN disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
CN-1938311-A Macrocyclic compounds as inhibitors of viral replication INTERMUNE INC (US) 2007-03-28 CN disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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 (6 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR6 3946/4885DRD2 4860/4885DRD3 4852/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR6 3946/4885DRD2 4860/4885DRD3 4852/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 HTR6 1743/4885DRD2 4532/4885DRD3 4392/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR6 3946/4885DRD2 4860/4885DRD3 4852/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 HTR6 3946/4885DRD2 4860/4885DRD3 4852/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR6 3946/4885DRD2 4860/4885DRD3 4852/4885

“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.