SCHEMBL3179281

SCHEMBL3179281

OCC1CCCCN1c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 2/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
CDK1 P06493 2/20 0.46
TYMP P19971 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HTT P42858 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAT2A P31153 1/20 0.44
CUL4A Q13619 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL3179200 0.84 MAP2K7 (0.43) L3MBTL1DRD2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL4616077 0.82 FFAR1 (0.53) L3MBTL1FFAR1DRD2DRD3HTR2A
SCHEMBL3184950 0.82 FFAR1 (0.46) L3MBTL1FFAR1DRD2DRD3KDM4E
SCHEMBL27918373 0.82 ALDH1A1 (0.56) L3MBTL1KDM4EGAASMN1; SMN2MEN1
SCHEMBL21135576 0.81 FFAR1 (0.53) L3MBTL1FFAR1CDK1TYMPHTT
SCHEMBL6231189 0.81 FFAR1 (0.48) FFAR1TYMPCUL4AMEN1KMT2A
SCHEMBL1533287 0.81 FFAR1 (0.48) FFAR1TYMPCUL4AMEN1KMT2A
SCHEMBL3182216 0.81 OPRK1 (0.45) L3MBTL1FFAR1CDK1TYMPHTT
SCHEMBL3182243 0.80 CHRNB4 (0.49) FFAR1DRD2CDK1KMT2AADRB1
SCHEMBL6476065 0.78 FFAR1 (0.50) FFAR1KDM4EKMT2AMAPTADRB1

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 L3MBTL1 2662/4885FFAR1 866/4885DRD2 1004/4885

“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.