SCHEMBL381678

SCHEMBL381678

C[C@H](CO)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.56
KCNH2 Q12809 2/20 0.48
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
CA7 P43166 3/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
AKR1C3 P42330 1/20 0.45
MAPT P10636 1/20 0.44
GRM2 Q14416 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL9984922 1.00 CACNA1G (0.56) CACNA1GKCNH2CA2CA1CA7
SCHEMBL381420 0.85 CACNA1G (0.54) CACNA1GKCNH2CA2CA1CA7
SCHEMBL19095368 0.82 MAPT (0.47) CACNA1GPPARDPPARAMAPT
SCHEMBL9984708 0.81 PPARD (0.52) CACNA1GCA2CA1CA7DRD4
SCHEMBL455662 0.81 PPARD (0.52) CACNA1GCA2CA1CA7DRD4
SCHEMBL11162348 0.80 ADRA2A (0.69) KCNH2DRD4DRD2ADRA2AADRA2B
SCHEMBL454734 0.80 PPARD (0.51) CACNA1GCA2CA1CA7DRD4
SCHEMBL9984170 0.79 CACNA1G (0.49) CACNA1GKCNH2CA2CA1CA7
SCHEMBL382055 0.79 CACNA1G (0.49) CACNA1GKCNH2CA2CA1CA7
Lithium Ion SCHEMBL9983653 0.79 CA2 (0.49) CACNA1GKCNH2CA2CA1CA7

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
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

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 CACNA1G 973/4885KCNH2 969/4885CA2 57/4885

“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.