SCHEMBL382534

SCHEMBL382534

CCOc1ccc(C(NC)C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
NQO1 P15559 1/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
ACACB O00763 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL17221894 0.82 OPRD1 (0.48) HPGDLMNANQO1SLC6A2SLC6A4
SCHEMBL382374 0.78 HPGD (0.44) HPGDLMNASLC6A2SLC6A4SLC6A3
SCHEMBL20217195 0.77 SMYD3 (0.49)
SCHEMBL3790676 0.74 SLC6A2 (0.49) HPGDLMNASLC6A2SLC6A4SLC6A3
SCHEMBL454274 0.74 HTR2C (0.49) SLC6A2SLC6A4HTR2C
SCHEMBL14533607 0.72 KMT2A (0.42) SLC6A2SLC6A4SLC6A3TDP1ALDH1A1
SCHEMBL13476449 0.70 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14990606 0.70 MAOA (0.53) NQO1SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL15567254 0.70 HRH1 (0.59) NQO1TDP1MAOAMAOB
Hydrochloric Acid SCHEMBL4890913 0.69 MAOA (0.51) NQO1SLC6A2SLC6A4SLC6A3TDP1

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 5 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-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
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 HPGD 1189/4885LMNA 3826/4885NQO1 886/4885

“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.