SCHEMBL172801

SCHEMBL172801

COc1ccc(C2CCCC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.50
PDE4A P27815 6/20 0.50
PDE4C Q08493 6/20 0.50
PDE4D Q08499 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
MAPT P10636 2/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
QDPR P09417 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
VEGFA P15692 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7723660 0.98 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL16553704 0.92 QDPR (0.46) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL12856094 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL5584588 0.84 NR3C1 (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15314625 0.84 QDPR (0.48) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL18664745 0.84 QDPR (0.48) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL5584591 0.84 HTR2C (0.55) PDE4BQDPRHTR2A
SCHEMBL14492330 0.84 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9325871 0.83 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL30866520 0.83 PDE4A (0.63) PDE4BPDE4APDE4CPDE4DSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB PDE4B 3348/4885PDE4A 3563/4885PDE4C 4473/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB PDE4B 3348/4885PDE4A 3563/4885PDE4C 4473/4885

“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.