SCHEMBL2123349

SCHEMBL2123349

O=C(CCl)N1CCN(c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50
DHFR P00374 1/20 0.49
CHRM4 P08173 2/20 0.48
SLC6A9 P48067 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
PARP1 P09874 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
TGM2 P21980 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CCR1 P32246 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43

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
SCHEMBL13012631 0.80 CKS1B (0.47) CKS1BSKP1SKP2POLBMAPT
SCHEMBL945056 0.79 ME2 (0.65) CYP3A4ADAMTS5POLBMAPTNPSR1
SCHEMBL13012315 0.78 HRH3 (0.50) CYP3A4HRH3DHFRCHRM4SLC6A9
SCHEMBL2119288 0.77 GPR119 (0.60) CYP3A4HRH3DHFRSLC6A9PPARD
SCHEMBL14823845 0.76 DHFR (0.49) CYP3A4HRH3DHFRCHRM4SLC6A9
SCHEMBL2118022 0.76 PANK3 (0.46) CKS1BSKP1SKP2MAPTYAP1
SCHEMBL2121523 0.76 MLLT1 (0.51) CKS1BSKP1SKP2MAPTNPSR1
SCHEMBL12042004 0.75 PPARD (0.53) CYP3A4HRH3DHFRCHRM4SLC6A9
SCHEMBL5904089 0.75 PKM (0.60) CHRM4PARP1CKS1BSKP1SKP2
SCHEMBL1270114 0.75 DHFR (0.58) CYP3A4HRH3DHFRCHRM4SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 CYP3A4 148/4885HRH3 384/4885DHFR 101/4885

“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.