SCHEMBL4205437

SCHEMBL4205437

NC1(COc2ccccc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
KCNA3 P22001 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
SCN4A P35499 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 1/20 0.37
PLA2G2A P14555 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL1824875 0.92 MAOA (0.48) TAAR1KCNA3MAOAMAOBALDH1A1
SCHEMBL3515342 0.78 TAAR1 (0.41) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL4210725 0.77 TAAR1 (0.44) TAAR1KCNA3MAOAMAOBALDH1A1
SCHEMBL226222 0.74 HRH3 (0.43) MAOBALDH1A1
SCHEMBL9577039 0.73 KCNA3 (0.43) TAAR1KCNA3ALDH1A1RECQLTDP1
SCHEMBL4207677 0.73 ALDH1A1 (0.44) KCNA3ALDH1A1RECQL
SCHEMBL18291222 0.73 MPO (0.37) LTA4H
SCHEMBL12453902 0.72 TAAR1 (0.47) TAAR1KCNA3MAOAMAOBALDH1A1
SCHEMBL22656555 0.72 TAAR1 (0.42) TAAR1KCNA3MAOAALDH1A1RECQL
SCHEMBL5227714 0.72 APP (0.45)

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-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US claimed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO claimed
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

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 4787/4885KCNA3 3414/4885MAOA 1704/4885

“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.