SCHEMBL6003729

SCHEMBL6003729

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 1/20 0.38
RGS4 P49798 1/20 0.37
MAPT P10636 7/20 0.36
NPSR1 Q6W5P4 5/20 0.36
CACNA1B Q00975 3/20 0.36
APBA1 Q02410 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
CCR6 P51684 2/20 0.35
PTGS2 P35354 2/20 0.35
HCRTR1 O43613 1/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL10994041 0.82 RGS4 (0.53) RGS4MAPTNPSR1CACNA1BAPBA1
SCHEMBL4194142 0.80 PGR (0.39) MAPTNPSR1CACNA1BAPBA1LMNA
SCHEMBL149927 0.80 MAPT (0.53) DRD2RGS4MAPTNPSR1CACNA1B
SCHEMBL4190224 0.79 AKR1B1 (0.37) MAPTTDP1ALDH1A1HPGDHTT
Ethane SCHEMBL8564354 0.78 MAPT (0.51) DRD2RGS4MAPTNPSR1CACNA1B
SCHEMBL4185573 0.78 AKR1C3 (0.38) RGS4MAPTNPSR1CACNA1BAPBA1
SCHEMBL4774013 0.76 PGR (0.43) MAPTNPSR1CACNA1BAPBA1LMNA
SCHEMBL1471089 0.76 MGLL (0.52) MAPTNPSR1CACNA1BAPBA1MGLL
SCHEMBL11000171 0.73 AHR (0.43) RGS4MAPTNPSR1CACNA1BAPBA1
SCHEMBL19760812 0.73 HSD11B1 (0.42) MAPTGAAKDM4EPOLB

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 1 patent. 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

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 SIGMAR1 562/4885DRD2 227/4885RGS4 1475/4885

“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.