SCHEMBL945227

SCHEMBL945227

N#Cc1ccc(N2CCN(C(=O)CCl)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PANK3 Q9H999 1/20 0.50
CHRM4 P08173 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
POLB P06746 2/20 0.49
AKR1C3 P42330 1/20 0.48
FAAH O00519 1/20 0.46
NAMPT P43490 2/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR2 Q92731 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45

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
SCHEMBL12947249 0.85 MAPT (0.53) DPP4TP53KDM4EPANK3CTSS
SCHEMBL10981623 0.81 ME2 (0.64) KDM4EPOLBAKR1C3LMNAMAPT
SCHEMBL1779457 0.81 KDM4E (0.59) DPP4TP53KDM4EPANK3CHRM4
SCHEMBL2867356 0.81 AKR1C3 (0.69) POLBAKR1C3LMNAMAPTME2
SCHEMBL18396616 0.80 DPP4 (0.49) DPP4TP53KDM4EPANK3CTSS
SCHEMBL2878977 0.80 POLB (0.69) POLBAKR1C3LMNAMAPTME2
SCHEMBL6755665 0.80 CASP6 (0.63) TP53KDM4EPANK3CTSSCTSK
SCHEMBL12916359 0.80 HTT (0.59) TP53POLBAKR1C3LMNAMAPT
SCHEMBL2120919 0.79 PANK3 (0.64) PANK3CHRM4
SCHEMBL2118022 0.79 PANK3 (0.46) TP53PANK3AKR1C3MAPT

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 10 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
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
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 DPP4 129/4885TP53 4065/4885KDM4E 2245/4885

“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.