SCHEMBL381585

SCHEMBL381585

CC(C)COc1ccc(N2CCN(CCC(=O)O)CC2)cc1.[LiH]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
THRB P10828 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
HTR1A P08908 1/20 0.52
THRA P10827 1/20 0.48
HTR7 P34969 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SOD1 P00441 1/20 0.47
ABCB1 P08183 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL12041605 0.99 MAPT (0.56) MAPTALDH1A1THRBLMNATSHR
SCHEMBL12041607 0.86 KMT2A (0.54) MAPTALDH1A1THRBLMNATSHR
Lithium Ion SCHEMBL9984376 0.86 MAPT (0.54) MAPTALDH1A1THRBLMNATSHR
SCHEMBL5011458 0.81 KMT2A (0.75) ALDH1A1KMT2AMEN1HTR1AKDM4E
SCHEMBL381104 0.80 RAB9A (0.70) MAPTALDH1A1LMNAKMT2AHTR1A
SCHEMBL15740796 0.79 THRB (0.74) MAPTALDH1A1THRBLMNATSHR
SCHEMBL12041572 0.79 RAB9A (0.71) MAPTALDH1A1LMNAKMT2AHTR1A
SCHEMBL14922320 0.78 HRH3 (0.52) MAPTALDH1A1LMNATSHRITGB3
SCHEMBL13234974 0.78 HTR1A (0.61) MAPTLMNAKMT2AMEN1HTR1A
SCHEMBL2897375 0.78 HTR1A (0.49) MAPTTHRBITGB3ITGA2BKMT2A

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-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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 (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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MAPT 1648/4885ALDH1A1 864/4885THRB 4871/4885

“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.