SCHEMBL4848442

SCHEMBL4848442

CC(C)(C)C1CCC(c2ccccc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
HTR2C P28335 5/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.33
SLC18A3 Q16572 2/20 0.33
MEN1 O00255 2/20 0.33
CDC25B P30305 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
HSD11B1 P28845 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
SCHEMBL744815 0.84 ALOX15 (0.45) HTR2CGAAALDH1A1USP2MAPT
SCHEMBL8932246 0.81 HTR2C (0.42) HTR2CGAAHSD11B1CYP3A4ALOX15
SCHEMBL8932238 0.79 MEN1 (0.47) HTR2CGAAALDH1A1USP2KMT2A
SCHEMBL3133666 0.78 GLA (0.41) GLAHTR2CALDH1A1MAPTKMT2A
Aniline SCHEMBL22169152 0.76 TSHR (0.48) HTR2CALDH1A1LMNAALOX12OPRM1
SCHEMBL1068978 0.76 NOS1 (0.41) HTR2CGAAALDH1A1MAPTL3MBTL1
SCHEMBL1067058 0.76 KDM4E (0.44) HTR2CGAAALDH1A1MAPTLMNA
SCHEMBL7812713 0.75 GRIN2D (0.42) HTR2CGAAUSP2KMT2AMEN1
SCHEMBL8932260 0.74 OPRL1 (0.35) HTR2CGAAALDH1A1USP2KMT2A
SCHEMBL8932242 0.74 OPRL1 (0.35) HTR2CGAAALDH1A1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 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 (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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 GLA 4485/4885HTR2C 3232/4885GAA 4860/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 GLA 4707/4885HTR2C 2635/4885GAA 4874/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 GLA 4632/4885HTR2C 2651/4885GAA 4880/4885

“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.