SCHEMBL382501

SCHEMBL382501

COC(=O)CCC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
NOTUM Q6P988 1/20 0.50
DRD2 P14416 3/20 0.46
DRD4 P21917 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DEGS1 O15121 1/20 0.46
CHRM4 P08173 1/20 0.46
DRD3 P35462 2/20 0.45
SLC6A9 P48067 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 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
SCHEMBL381626 0.93 CHRM2 (0.48) CHRM2NOTUMDRD2DRD4HRH4
SCHEMBL462291 0.88 HRH3 (0.47) HRH3CHRM4LMNAMAPTTP53
SCHEMBL20271723 0.88 NOTUM (0.51) CHRM2NOTUMDRD2DRD4HRH4
SCHEMBL12042040 0.85 NOTUM (0.59) CHRM2NOTUMDRD2DRD4HRH4
SCHEMBL382303 0.84 MAPT (0.49) NOTUMDRD2DRD4DEGS1CHRM4
SCHEMBL382242 0.84 NOTUM (0.58) CHRM2NOTUMDRD2DRD4HRH4
SCHEMBL380124 0.83 USP2 (0.57) CHRM4MAPT
Lithium Ion SCHEMBL382243 0.82 NOTUM (0.52) CHRM2NOTUMDRD2DRD4HRH4
SCHEMBL460572 0.81 PTGER2 (0.46) HRH3CA12CA2CA9CHRM4
SCHEMBL12042021 0.79 NOTUM (0.56) CHRM2NOTUMDRD2DRD4HRH4

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 CHRM2 2787/4885NOTUM 157/4885DRD2 3527/4885

“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.