SCHEMBL13677237

SCHEMBL13677237

CCOCc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
MAOB P27338 7/20 0.54
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
TACR1 P25103 2/20 0.49
NR4A2 P43354 2/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL27708411 0.89 IDO1 (0.72) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL17730280 0.84 IDO1 (0.49) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL13798386 0.84 TACR1 (0.50) IDO1MAOBTACR1
SCHEMBL30810364 0.84 IDO1 (0.66) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL10815216 0.82 IDO1 (0.64) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL3153651 0.82 IDO1 (0.64) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL171782 0.81 IDO1 (0.68) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL30810184 0.81 IDO1 (0.58) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL13676861 0.81 IDO1 (0.58) IDO1MAOBHTR2AHTR2BHTR2C
SCHEMBL13969446 0.81 IDO1 (0.59) IDO1SLC6A4TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 IDO1 4716/4885MAOB 2809/4885HTR2A 4181/4885

“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.