SCHEMBL946774

SCHEMBL946774

O=C(CCl)N1CCN(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.61
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
GPX4 P36969 1/20 0.49
MEN1 O00255 1/20 0.49
PHGDH O43175 1/20 0.47
MAPK1 P28482 1/20 0.47
CCR5 P51681 1/20 0.47
AKR1C3 P42330 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1904905 0.87 AKR1C3 (0.61) GRM5TSHRLMNAALDH1A1HTT
SCHEMBL1903202 0.81 GRM5 (0.62) GRM5TSHRLMNAALDH1A1HTT
SCHEMBL1199475 0.78 KMT2A (0.47) GRM5TSHRLMNAALDH1A1MAPT
SCHEMBL12670082 0.78 GRM5 (0.81) GRM5
SCHEMBL12726214 0.78 ADAMTS5 (0.60) TSHRLMNAALDH1A1HTTL3MBTL1
SCHEMBL27796245 0.77 GRM5 (0.47) GRM5TSHRALDH1A1MAPTKMT2A
SCHEMBL23536551 0.77 TSHR (0.66) TSHRLMNAALDH1A1HTTL3MBTL1
SCHEMBL1907784 0.77 CYP3A4 (0.56) GRM5TSHRLMNAALDH1A1HTT
SCHEMBL30591201 0.77 CYP3A4 (0.56) GRM5TSHRLMNAALDH1A1HTT
SCHEMBL2867356 0.75 AKR1C3 (0.69) GRM5LMNAALDH1A1HTTMAPT

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 GRM5 1911/4885TSHR 4671/4885LMNA 3826/4885

“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.