SCHEMBL4860064

SCHEMBL4860064

CCCC(=O)N1CCN(c2ccccc2C2=CCC(C)(C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.40
AR P10275 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CES1 P23141 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL4857854 0.88 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL18092193 0.85 RBP4 (0.41) ALDH1A1AR
SCHEMBL4848269 0.85 GAA (0.55) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL4856228 0.81 DRD2 (0.47) LMNA
SCHEMBL4860384 0.80 SMARCA2 (0.46) MAPTALDH1A1LMNANAMPT
Hydrochloric Acid SCHEMBL4853010 0.80 ALDH1A1 (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL18092167 0.79 DRD2 (0.49) LMNA
Hydrochloric Acid SCHEMBL4859266 0.79 DRD2 (0.49) LMNA
Hydrochloric Acid SCHEMBL4849343 0.78 KDM4E (0.52) LMNA
SCHEMBL4860393 0.76 MAPT (0.40) MAPTALDH1A1KMT2AMEN1LMNA

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 7 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
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-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

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 MAPT 2411/4885ALDH1A1 707/4885KMT2A 3129/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 MAPT 2870/4885ALDH1A1 705/4885KMT2A 2951/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 MAPT 2706/4885ALDH1A1 617/4885KMT2A 3396/4885

“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.