SCHEMBL381104

SCHEMBL381104

O=C(O)CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1.[LiH]

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
MAPT P10636 3/20 0.70
HTT P42858 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
EGFR P00533 3/20 0.58
HTR1A P08908 1/20 0.55
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
S1PR5 Q9H228 1/20 0.53
NPY1R P25929 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
SCHEMBL12041572 0.99 RAB9A (0.71) RAB9AMAPTHTTALDH1A1LMNA
Lithium Ion SCHEMBL9984158 0.88 MAPT (0.67) RAB9AMAPTHTTALDH1A1LMNA
SCHEMBL12041582 0.87 MAPT (0.69) RAB9AMAPTHTTALDH1A1LMNA
SCHEMBL381470 0.86 FFAR1 (0.59) RAB9AMAPTHTR1AFFAR1
SCHEMBL12041675 0.85 FFAR1 (0.60) RAB9AMAPTHTR1AFFAR1
SCHEMBL13234974 0.83 HTR1A (0.61) RAB9AMAPTLMNAHTR1AKMT2A
SCHEMBL2881745 0.82 HTR1A (0.60) RAB9AMAPTLMNAHTR1AKMT2A
SCHEMBL3040556 0.81 HRH3 (0.71) RAB9AHTTALDH1A1LMNAEGFR
SCHEMBL13234969 0.81 HTR1A (0.58) MAPTHTR1ANPSR1
SCHEMBL12041110 0.81 KDM4E (0.61) RAB9AMAPTHTTALDH1A1LMNA

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 RAB9A 2909/4885MAPT 1648/4885HTT 156/4885

“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.