SCHEMBL3599994

SCHEMBL3599994

O=C(c1ccccn1)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3603360 0.90 HTR2A (0.48) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3590840 0.89 ACHE (0.40) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3593121 0.89 HTR2A (0.38) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3598971 0.88 PDE4B (0.39) ACHE
SCHEMBL3591230 0.87 HTR2A (0.41) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3604419 0.87 ALDH1A1 (0.41) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3593497 0.87 HTR2A (0.47) CYP3A4HTR2A
SCHEMBL3598641 0.87 HTR2A (0.47) HTR2AACHEBCHEALOX5MAOA
SCHEMBL3596607 0.86 SIGMAR1 (0.41) HTR2ASIGMAR1ACHEBCHEALOX5
SCHEMBL3597935 0.86 HTR2A (0.42) HTR2ASIGMAR1ACHEBCHEALOX5

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 CYP3A4 274/4885CYP2C9 424/4885HTR2A 4301/4885

“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.