SCHEMBL12204752

SCHEMBL12204752

[C-]#[N+]c1ccc(C(C)c2ccc(OCC)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.39
MAPT P10636 1/20 0.39
OXTR P30559 1/20 0.34
FFAR1 O14842 1/20 0.34
CHRNA7 P36544 1/20 0.34
CYP19A1 P11511 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
KRAS P01116 2/20 0.31
SOS1 Q07889 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL12204807 0.85 APP (0.36) ACACBMAPT
SCHEMBL12204775 0.85 ACACB (0.36) ACACBOXTRKRASSOS1PIK3CD
SCHEMBL12204754 0.85 ACACB (0.30) ACACB
SCHEMBL12204747 0.84 ALDH1A1 (0.39) ACACBCHRNA7PIK3CDPIK3CAPIK3CB
SCHEMBL12204789 0.80 MAPT (0.41) ACACBMAPTOXTRFFAR1CHRNA7
SCHEMBL12204749 0.80 NQO1 (0.48) ACACBMAPT
SCHEMBL9751879 0.77 ACACB (0.40) ACACBMAPTFFAR1CYP19A1PIK3CD
SCHEMBL12230280 0.77 ACACB (0.47) ACACBMAPTCYP19A1
SCHEMBL12204799 0.77 HPGD (0.48) ACACBMAPTFFAR1
SCHEMBL12204696 0.76 ADRA2A (0.36) HRH1

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-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 ACACB 3766/4885MAPT 4734/4885OXTR 11/4885

“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.