SCHEMBL5536591

SCHEMBL5536591

Cc1ccc(C2=CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
HTR2C P28335 10/20 0.49
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 2/20 0.40
HTR6 P50406 2/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MARK3 P27448 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCD Q05655 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL12139643 0.83 HTR2C (0.50) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL5542320 0.83 HTR2C (0.49) HTR2CDRD2SIGMAR1HTR6HTR2A
SCHEMBL24670167 0.82 GLA (0.54) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL10104535 0.82 HTR2C (0.46) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL12142090 0.82 PDE3B (0.52) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL26938532 0.80 DRD2 (0.49) HTR2CDRD2SIGMAR1HTR6HTR2A
SCHEMBL27629619 0.79 PDE3B (0.49) PDE3BPDE3AHTR2CDRD2SIGMAR1
Hydrochloric Acid SCHEMBL4589212 0.78 HTR2C (0.56) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL3326760 0.78 HTR2C (0.56) PDE3BPDE3AHTR2CDRD2SIGMAR1
SCHEMBL27007805 0.78 PDE3B (0.53) PDE3BPDE3AHTR2CSIGMAR1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PDE3B 3677/4885PDE3A 4066/4885HTR2C 2910/4885

“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.