SCHEMBL454689

SCHEMBL454689

CC(C)(C)c1ccc(N2C=C3CN(CCC(=O)O)CC3C2)cc1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.40
PTGER2 P43116 3/20 0.39
PTGER3 P43115 2/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2J2 P51589 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TBXA2R P21731 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL454688 0.74 NR1H4 (0.44) NR1H4PTGER2PTGER3ACACBLMNA
SCHEMBL12042008 0.73 NR1H4 (0.45) NR1H4PTGER2PTGER3ACACBSMN1; SMN2
SCHEMBL381875 0.72 HTR1A (0.50) NR1H4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12041659 0.71 HTR1A (0.51) NR1H4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL381362 0.65 ALDH1A1 (0.51) PTGER2PTGER3CYP2J2SMN1; SMN2ALDH1A1
SCHEMBL462264 0.64 HRH3 (0.50) NR1H4PTGER2PTGER3ALDH1A1LMNA
SCHEMBL12041897 0.64 ALDH1A1 (0.52) PTGER2PTGER3CYP2J2SMN1; SMN2ALDH1A1
SCHEMBL12042054 0.63 HRH3 (0.51) NR1H4PTGER2PTGER3ALDH1A1LMNA
SCHEMBL9984306 0.62 DRD2 (0.49) CYP2J2SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL798065 0.62 HTR5A (0.47) NR1H4MEN1KMT2AALDH1A1LMNA

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 NR1H4 1493/4885PTGER2 2357/4885PTGER3 1933/4885

“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.