SCHEMBL4855104

SCHEMBL4855104

CCCC(=O)N1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.42
AR P10275 1/20 0.42
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL18092179 0.84 RBP4 (0.46) RBP4TSHRARGAA
SCHEMBL4852456 0.84 GAA (0.58) MAPTALDH1A1LMNATSHRNPC1
SCHEMBL4859730 0.84 MAPT (0.47) RBP4MAPTALDH1A1KMT2AMEN1
SCHEMBL4854496 0.83 ALDH1A1 (0.52) RBP4MAPTALDH1A1KMT2AMEN1
SCHEMBL4853943 0.83 MAPT (0.44) RBP4MAPTALDH1A1KMT2AMEN1
SCHEMBL4858319 0.83 GAA (0.48) RBP4KMT2AMEN1NPC1GAA
Hydrochloric Acid SCHEMBL4851175 0.81 ALDH1A1 (0.53) RBP4MAPTALDH1A1KMT2AMEN1
SCHEMBL4855728 0.81 ALDH1A1 (0.53) RBP4MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4855745 0.80 ALDH1A1 (0.52) RBP4MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4858553 0.80 ALDH1A1 (0.52) RBP4MAPTALDH1A1KMT2AMEN1

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 RBP4 1592/4885MAPT 2411/4885ALDH1A1 707/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 RBP4 1837/4885MAPT 2870/4885ALDH1A1 705/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 RBP4 1584/4885MAPT 2706/4885ALDH1A1 617/4885

“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.