SCHEMBL3041941

SCHEMBL3041941

COc1cc2c(cc1OCc1ccccc1)CCCN(Cc1ccccc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
HTR1A P08908 2/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
GPR84 Q9NQS5 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
REV1 Q9UBZ9 1/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
HTR7 P34969 1/20 0.47
GRM5 P41594 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.46
PDE4B Q07343 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3055557 0.93 HTR1A (0.50) CHRNA7HTR1ADRD4DRD3GPR84
SCHEMBL3064135 0.89 REV1 (0.56) CHRNA7HTR1AGPR84LMNASMN1; SMN2
SCHEMBL3057161 0.87 MAPK1 (0.55) CHRNA7HTR1AGPR84LMNASMN1; SMN2
SCHEMBL3051832 0.86 CHRNA7 (0.53) CHRNA7HTR1AGPR84LMNASMN1; SMN2
SCHEMBL3051083 0.86 HTR2A (0.54) CHRNA7HTR1AGPR84LMNASMN1; SMN2
SCHEMBL31134765 0.86 GRM5 (0.60) DRD4GPR84HTR2BGRM5MEN1
SCHEMBL3061473 0.84 ACHE (0.50) HTR1ADRD4DRD3SMN1; SMN2GRM5
SCHEMBL3051019 0.81 ROCK2 (0.53) CHRNA7GPR84MEN1KMT2A
SCHEMBL3186155 0.81 GRM5 (0.45) HTR1ADRD4DRD3GRM5ALDH1A1
SCHEMBL9620526 0.80 MAOA (0.57) CHRNA7HTR1AGPR84HTR2AHTR2C

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CHRNA7 4760/4885HTR1A 1761/4885DRD4 1675/4885

“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.