SCHEMBL4858467

SCHEMBL4858467

CCCC(=O)N1CCN(c2ccc(N3CCOCC3)cc2C2=CCC(CC)(CC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAMPT P43490 1/20 0.38
PAX8 Q06710 2/20 0.37
RAB9A P51151 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
Hydrochloric Acid SCHEMBL4857690 0.84 DRD2 (0.38) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL4252135 0.84 ALDH1A1 (0.37) MAPTMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4852040 0.84 ALDH1A1 (0.37) MAPTMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4852392 0.83 KDM4E (0.38) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL4854788 0.82 PSMB5 (0.37) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL4857854 0.82 MAPT (0.41) MAPTMEN1KMT2ANPC1USP2
SCHEMBL14064653 0.82 KDM4E (0.42) LMNAGAA
Hydrochloric Acid SCHEMBL4855065 0.82 KDM4E (0.42) LMNAGAA
Hydrochloric Acid SCHEMBL4859149 0.80 OPRD1 (0.40) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4848375 0.79 TLR9 (0.38) USP2ALDH1A1POLBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US 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 (1 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-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 MAPT 2870/4885MEN1 2969/4885KMT2A 2951/4885

“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.