SCHEMBL1506609

SCHEMBL1506609

COc1cc2c(cc1I)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR2B P41595 4/20 0.47
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CHRNA7 P36544 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 1/20 0.39
HTR1A P08908 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5045112 0.84 MAPT (0.62) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL22953306 0.82 CYP3A4 (0.68) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL59900 0.79 MAPT (0.62) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL21661793 0.77 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL28812341 0.76 MAOB (0.77) CHRNA7MAOAMAOBSLC6A4DRD2
SCHEMBL28812267 0.76 MAOB (0.77) CHRNA7MAOAMAOBSLC6A4DRD2
SCHEMBL29843351 0.76 MAOB (0.77) CHRNA7MAOAMAOBSLC6A4DRD2
SCHEMBL4788966 0.76 HTR2A (0.43) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL361694 0.76 MAPT (0.46) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL3519553 0.75 GRIN2D (0.40) MAPTKDM4EALDH1A1TSHRMEN1

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
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP HTR2A 4433/4885HTR2C 4486/4885HTR2B 1775/4885

“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.