SCHEMBL6003496

SCHEMBL6003496

CN1C(=O)C2CC2(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.67
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 2/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RCOR1 Q9UKL0 1/20 0.35
CYP1A2 P05177 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 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
SCHEMBL6002297 0.83 CYP19A1 (0.72) CYP19A1MAOAMAOB
SCHEMBL2779577 0.80 CYP19A1 (1.00) CYP19A1
SCHEMBL11076987 0.80 CYP19A1 (0.72) CYP19A1MAOAMAOBKDM1A
SCHEMBL11078445 0.80 CYP19A1 (0.71) CYP19A1
SCHEMBL4190208 0.77 CYP19A1 (0.62) CYP19A1
SCHEMBL4184614 0.74 CYP19A1 (0.59) CYP19A1
SCHEMBL4181298 0.74 CYP19A1 (0.59) CYP19A1
SCHEMBL4771129 0.73 CYP19A1 (0.58) CYP19A1KMT2A
SCHEMBL10531992 0.73 CYP19A1 (0.62) CYP19A1
SCHEMBL10107833 0.71 CYP19A1 (0.64) CYP19A1MAOAMAOBKDM1ARCOR1

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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US disclosed
US-20060058428-A1 Fluorinated compounds having epoxy and vinyl ether functional groups HONEYWELL INTERNATIONAL INC. 2006-03-16 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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 CYP19A1 461/4885MAOA 71/4885MAOB 22/4885

“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.