SCHEMBL3779181

SCHEMBL3779181

CN(CC1(CN(C(=O)O)C(C)(C)C)CC1)c1cnc(Cl)c(-c2ccncc2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
SLC22A12 Q96S37 2/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL3777920 0.83 FFAR4 (0.36) SLC22A12
SCHEMBL3774549 0.82 GRM5 (0.30)
SCHEMBL3772478 0.79 ABL1 (0.32) SLC22A12
SCHEMBL3779179 0.77 ROCK2 (0.32) PIK3CAMTOR
SCHEMBL3782751 0.74 FFAR4 (0.41)
SCHEMBL3772246 0.74 NPC1 (0.33)
SCHEMBL3146956 0.74 PIK3CA (0.33) PIK3CAMTOR
SCHEMBL3771958 0.74 MAP4K4 (0.35) SLC22A12
SCHEMBL3778433 0.74 ABL1 (0.39) SLC22A12
Hydrochloric Acid SCHEMBL3771652 0.73 PIK3CA (0.32) PIK3CAMTOR

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG CNR2 28/4885SLC22A12 3272/4885PIK3CA 1338/4885

“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.