SCHEMBL945189

SCHEMBL945189

O=C(CCl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 3/20 0.60
ME1 P48163 3/20 0.60
ME3 Q16798 3/20 0.60
GRM5 P41594 4/20 0.59
MAPT P10636 9/20 0.58
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 2/20 0.57
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A7 Q99884 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ENPP2 Q13822 1/20 0.52
POLB P06746 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
SCHEMBL2312575 0.88 ME2 (0.64) ME2ME1ME3GRM5MAPT
SCHEMBL12916426 0.88 MAPT (0.62) ME2ME1ME3MAPTKDM4E
Hydrochloric Acid SCHEMBL2309495 0.86 ME2 (0.58) ME2ME1ME3GRM5MAPT
SCHEMBL945380 0.84 ME2 (0.61) ME2ME1ME3MAPTKDM4E
SCHEMBL12206749 0.84 MAPT (0.77) ME2ME1ME3GRM5MAPT
SCHEMBL12916432 0.84 MAPK1 (0.59) ME2ME1ME3GRM5MAPT
SCHEMBL23259338 0.83 ME2 (0.59) ME2ME1ME3GRM5MAPT
SCHEMBL2307404 0.83 MAPK1 (0.62) ME2ME1ME3GRM5MAPT
SCHEMBL3299369 0.82 MAPT (0.70) GRM5MAPTNPC1GAANPSR1
SCHEMBL28788691 0.81 MAPT (0.55) ME2ME1ME3GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
CN-101896459-B Anthelmintic and its use INTERVET INT BV 2013-07-24 CN disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
CN-101896459-A Anthelmintic and its use INTERVET INT BV 2010-11-24 CN disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ME2 472/4885ME1 411/4885ME3 291/4885

“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.