SCHEMBL4175149

SCHEMBL4175149

COc1cc(C2CCNCC2)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.53
HTR2A P28223 2/20 0.51
HTR2C P28335 5/20 0.50
PDE4B Q07343 1/20 0.49
AR P10275 4/20 0.48
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
QDPR P09417 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42

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
Hydrochloric Acid SCHEMBL4182890 0.99 CHEK1 (0.53) CHEK1HTR2AHTR2CPDE4BAR
SCHEMBL2299204 0.82 HTR2C (0.44) CHEK1HTR2AHTR2CTLR9TLR7
SCHEMBL28779325 0.81 HTR2C (0.51) CHEK1HTR2CTLR9TLR7QDPR
SCHEMBL2473309 0.81 PDE4B (0.64) HTR2AHTR2CPDE4BTLR9TLR7
Hydrochloric Acid SCHEMBL27608596 0.80 HTR2C (0.53) CHEK1HTR2CTLR9TLR7QDPR
Hydrochloric Acid SCHEMBL9014415 0.80 PDE4B (0.62) HTR2AHTR2CPDE4BTLR9TLR7
Hydrochloric Acid SCHEMBL9772895 0.80 PDE4B (0.62) HTR2AHTR2CPDE4BTLR9TLR7
SCHEMBL310290 0.78 HTR2C (0.55) CHEK1HTR2AHTR2CPDE4BTLR9
SCHEMBL4734994 0.78 QDPR (0.46) CHEK1HTR2APDE4BARQDPR
SCHEMBL3747586 0.78 AR (0.46) HTR2AAR

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-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN CHEK1 4694/4885HTR2A 4609/4885HTR2C 4806/4885

“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.