SCHEMBL381687

SCHEMBL381687

CCOC(=O)CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 1/20 0.57
HTR7 P34969 1/20 0.49
DRD3 P35462 2/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
PPARD Q03181 4/20 0.47
PPARA Q07869 3/20 0.47
MGLL Q99685 1/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA12 O43570 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
SCHEMBL460673 0.89 HRH3 (0.50) DRD2DRD4HTR7DRD3HTR1A
SCHEMBL13158495 0.88 DRD2 (0.63) DRD2DRD4HTR7DRD3HTR1A
SCHEMBL7957399 0.86 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10763370 0.86 HTR7 (0.61) DRD2HTR7DRD3HTR2ASLC6A4
SCHEMBL7949588 0.86 SLC6A4 (0.49) DRD2DRD4HTR7DRD3SLC6A4
SCHEMBL20271985 0.85 PPARD (0.51) DRD2DRD4PPARDPPARAMGLL
SCHEMBL2388474 0.84 GFER (0.52) DRD2DRD4HTR7DRD3HTR1A
SCHEMBL7959941 0.84 CACNA1G (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL12041637 0.84 DRD2 (0.63) DRD2DRD4HTR7DRD3HTR1A
SCHEMBL8160104 0.84 HTR1A (0.58) DRD2DRD4HTR7DRD3HTR1A

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 11 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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
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-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO DRD2 3527/4885DRD4 3926/4885HTR7 2531/4885

“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.