SCHEMBL9984306

SCHEMBL9984306

CC(C)(C)c1ccc(N2CCCN(CCCC(=O)O)CC2)cc1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
HTR1A P08908 3/20 0.49
DRD3 P35462 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL12042061 0.99 DRD2 (0.50) DRD2DRD4HTR1ADRD3SIGMAR1
SCHEMBL381362 0.95 ALDH1A1 (0.51) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL12041897 0.94 ALDH1A1 (0.52) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL381875 0.87 HTR1A (0.50) DRD2DRD4HTR1ADRD3HRH3
Lithium Ion SCHEMBL9984309 0.87 DRD4 (0.48) DRD2DRD4HTR1ADRD3SIGMAR1
SCHEMBL12041659 0.86 HTR1A (0.51) DRD2DRD4HTR1ADRD3HRH3
SCHEMBL381636 0.82 DRD2 (0.60) DRD2DRD4HTR1ADRD3HTR2A
Lithium Ion SCHEMBL9984178 0.81 DRD4 (0.50) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL12041413 0.81 DRD2 (0.61) DRD2DRD4HTR1ADRD3HTR2A
SCHEMBL19107617 0.79 MAPT (0.58) DRD2DRD4HTR1ADRD3HTR2A

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 3 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
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US 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 3926/4885HTR1A 3430/4885

“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.