SCHEMBL3597434

SCHEMBL3597434

CN(C)C(CCc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC18A3 Q16572 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
EPHX2 P34913 2/20 0.42
SLC18A2 Q05940 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KAT2B Q92831 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL1327655 0.84 SLC18A3 (0.41) HTTALDH1A1SLC18A3TAAR1
SCHEMBL493638 0.84 AOC3 (0.39) SLC18A3SLC18A2TAAR1
SCHEMBL493628 0.83 POLB (0.37) L3MBTL1SLC18A2TAAR1
SCHEMBL1327183 0.82 CHRNB2 (0.39) SLC18A3L3MBTL1OPRM1
SCHEMBL493056 0.82 SLC6A2 (0.37) SLC18A3SLC18A2TAAR1SIGMAR1OPRM1
SCHEMBL493718 0.81 CHRNB2 (0.35) HTTALDH1A1HPGDTAAR1
SCHEMBL493503 0.80 SLC18A3 (0.35) HTTALDH1A1SLC18A3
SCHEMBL643119 0.80 DRD2 (0.37) SLC18A2TAAR1
SCHEMBL644085 0.79 CHRNB2 (0.34) HTTALDH1A1HPGDOPRM1
SCHEMBL1327350 0.79 KMT2A (0.47) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 HTT 4064/4885ALDH1A1 3/4885SLC18A3 703/4885

“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.