SCHEMBL3179170

SCHEMBL3179170

OCC1CCCCN1c1ccc(O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.42
TYMP P19971 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CUL4A Q13619 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
OPRK1 P41145 2/20 0.36
FFAR1 O14842 2/20 0.35
CDK1 P06493 1/20 0.35
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2938484 0.84 MAP2K7 (0.42) MAP2K7TYMPKDM4EGAAHTT
SCHEMBL3173745 0.81 ADRB1 (0.45) IRAK4TYMPKDM4EGAAHTT
SCHEMBL18280176 0.79 ALDH1A1 (0.52) KDM4EGAACUL4A
SCHEMBL4081189 0.79 MAP2K7 (0.39) MAP2K7TYMPKDM4EGAAHTT
SCHEMBL3182216 0.77 OPRK1 (0.45) TYMPKDM4EGAAHTTCUL4A
SCHEMBL359524 0.76 KDM4E (0.50) MAP2K7IRAK4TYMPKDM4EGAA
SCHEMBL10208772 0.76 ADRB1 (0.46) TYMPCUL4ASPHK2SPHK1
SCHEMBL2938685 0.75 MAP2K7 (0.42) MAP2K7FFAR1SPHK2SPHK1
SCHEMBL3164051 0.75 MAP2K7 (0.44) MAP2K7TYMPCUL4AOPRK1FFAR1
SCHEMBL3169606 0.75 MAP2K7 (0.39) MAP2K7IRAK4TYMPCUL4AL3MBTL1

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-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain SOSEI R & D LTD. (GB) 2010-01-21 US disclosed
EP-1993544-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
WO-2007102011-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 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-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain HRH3, HRH2, HRH1 MAP2K7 3679/4885IRAK4 1298/4885TYMP 3775/4885

“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.