SCHEMBL4126442

SCHEMBL4126442

CC(C)(C)OC(=O)NCC1CC1c1cccc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
HTR2C P28335 2/20 0.40
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
ACACB O00763 3/20 0.38
ACACA Q13085 2/20 0.38
EGLN2 Q96KS0 2/20 0.38
F2R P25116 1/20 0.37
SLC6A4 P31645 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
RORC P51449 1/20 0.36
HDAC1 Q13547 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4126445 1.00 CTSS (0.41) CTSSCTSKCTSBHTR2CKDM1A
SCHEMBL4129091 0.87 HTR2C (0.56) HTR2CACACBACACAHDAC1
SCHEMBL4129089 0.87 HTR2C (0.56) HTR2CACACBACACAHDAC1
SCHEMBL4127039 0.87 HTR2C (0.56) CTSSCTSKCTSBHTR2CACACB
SCHEMBL4127041 0.87 HTR2C (0.56) CTSSCTSKCTSBHTR2CACACB
SCHEMBL4138978 0.85 HTR2C (0.43) HTR2CKDM1AMAOBMAOAACACB
SCHEMBL4138979 0.85 HTR2C (0.43) HTR2CKDM1AMAOBMAOAACACB
SCHEMBL4129040 0.83 HTR2C (0.46) HTR2CKDM1AMAOBMAOAACACB
SCHEMBL4129039 0.83 HTR2C (0.46) HTR2CKDM1AMAOBMAOAACACB
SCHEMBL5315320 0.82 HTR2C (0.50) CTSSCTSKCTSBHTR2CACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US 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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A CTSS 2974/4885CTSK 4615/4885CTSB 3885/4885

“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.