SCHEMBL381609

SCHEMBL381609

COC(=O)C(C)CN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 5/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
DRD2 P14416 3/20 0.53
DRD4 P21917 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR7 P34969 1/20 0.52
LMNA P02545 1/20 0.52
P2RX3 P56373 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SOD1 P00441 1/20 0.50
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL12041786 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALDH1A1DRD2DRD4
SCHEMBL381137 0.84 MAPT (0.55) SMN1; SMN2MAPTALDH1A1DRD2DRD4
SCHEMBL381655 0.83 SMN1; SMN2 (0.58) SMN1; SMN2MAPTALDH1A1DRD2DRD4
SCHEMBL438236 0.83 LDHA (0.53) DRD2DRD4HTR7KCNH2
Lithium Ion SCHEMBL9984414 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTDRD2DRD4MEN1
SCHEMBL11622944 0.78 MAPT (0.58) SMN1; SMN2MAPTDRD2DRD4KMT2A
SCHEMBL4673723 0.75 MEN1 (0.52) SMN1; SMN2MAPTTSHRDRD2DRD4
SCHEMBL4673727 0.75 MEN1 (0.52) SMN1; SMN2MAPTTSHRDRD2DRD4
SCHEMBL29201725 0.75 CYP2D6 (0.58) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL10901062 0.75 MAPT (0.69) SMN1; SMN2MAPTTSHRALDH1A1DRD2

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-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 SMN1; SMN2 4633/4885MAPT 1648/4885TSHR 4671/4885

“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.