SCHEMBL4217136

SCHEMBL4217136

CC(C)CC(CCc1cccs1)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
RAB9A P51151 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ADAM17 P78536 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4205163 0.76 TAAR1 (0.44) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL4729505 0.75 TAAR1 (0.54) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL4218065 0.74 CYP2C19 (0.45) TAAR1ADRA2AADRA2BADRA2CTSHR
Ammonia Solution, Strong SCHEMBL28852825 0.73 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL4210706 0.73 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL1866420 0.73 CYP2C19 (0.47) TAAR1ADRA2AADRA2BADRA2CCYP2C19
SCHEMBL27963007 0.69 ALDH1A1 (0.40) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL23094084 0.69 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL5310132 0.69 KMT2A (0.50) TAAR1ADRA2AADRA2BADRA2CPOLB
SCHEMBL9685393 0.69 KMT2A (0.50) TAAR1ADRA2AADRA2BADRA2CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 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-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 TAAR1 4787/4885ADRA2A 3869/4885ADRA2B 3682/4885

“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.