SCHEMBL5162218

SCHEMBL5162218

Cc1cc(Br)cc(CCCCO)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
NOS2 P35228 4/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL21590387 0.87 CYP1A2 (0.36) CYP1A2GPR119MEN1GAAMAPK1
SCHEMBL2567549 0.80 TNKS2 (0.35) NOS2MEN1GAAMAPK1KMT2A
SCHEMBL1051410 0.79 KCNH2 (0.33) CYP1A2NOS2MEN1KMT2ANOS3
SCHEMBL1425084 0.79 HTT (0.35) CYP1A2GPR119MEN1GAAMAPK1
SCHEMBL29383530 0.79 HTT (0.35) CYP1A2GPR119MEN1GAAMAPK1
SCHEMBL21581985 0.74 MAPT (0.38) CYP1A2MEN1GAAKMT2AHTT
SCHEMBL5562820 0.72 NOS3 (0.42) CYP1A2NOS2GAANOS3HTT
SCHEMBL21581991 0.71 ALDH1A1 (0.39) MEN1GAAKMT2AALDH1A1
SCHEMBL24227834 0.71 ADORA2A (0.34) GAAMAPK1HTT
SCHEMBL30552533 0.71 ADORA2A (0.34) GAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-1764099-A2 Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP disclosed
EP-1764098-A1 Diaminoalcohols derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP 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 (2 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-20070066604-A1 Diaminoalcohols as therapeutic compounds CTSD, FURIN, CTSL CYP1A2 3657/4885GPR119 1059/4885NOS2 3869/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC CYP1A2 2259/4885GPR119 811/4885NOS2 3658/4885

“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.