SCHEMBL1795293

SCHEMBL1795293

CCCN(CCC)CCCCCOc1ccc(C(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
BCHE P06276 6/20 0.60
ACHE P22303 5/20 0.60
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
RAB9A P51151 1/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2472562 0.89 MAPT (0.66) MAPTBCHEACHETHRATHRB
SCHEMBL7171003 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL21908583 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL3055019 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL3051371 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL302596 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL12113908 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL3052051 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL302793 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR
SCHEMBL3051368 0.85 MAPT (0.74) MAPTRAB9ATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 MAPT 3584/4885BCHE 1732/4885ACHE 2715/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 MAPT 3734/4885BCHE 1673/4885ACHE 2565/4885

“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.