SCHEMBL946519

SCHEMBL946519

CNCC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 2/20 0.46
CHRM2 P08172 2/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DEGS1 O15121 1/20 0.43
TRPA1 O75762 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CETP P11597 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL13082630 0.85 HRH4 (0.50) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL13059910 0.84 HRH4 (0.49) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL12419698 0.83 HRH3 (0.56) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL12419707 0.81 HRH3 (0.54) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL12916521 0.81 MEN1 (0.51) HRH3MAPTGAAL3MBTL1
SCHEMBL785012 0.80 ROCK2 (0.54) HRH3DRD2L3MBTL1
SCHEMBL5537698 0.80 NOTUM (0.50) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL2166648 0.80 HRH4 (0.56) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL1735105 0.80 HRH4 (0.56) HRH3HRH4SLC6A2SLC6A4NOTUM
SCHEMBL13082657 0.79 KDM4E (0.56) HRH3CYP3A4CHRM2MAPTKDM4E

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 16 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-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-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 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
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 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 (3 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 HRH3 311/4885HRH4 92/4885SLC6A2 2453/4885
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO HRH3 311/4885HRH4 92/4885SLC6A2 2453/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP HRH3 1950/4885HRH4 1666/4885SLC6A2 3902/4885

“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.