SCHEMBL3768495

SCHEMBL3768495

Cc1ncc(NCC2(N(C)C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.37
AAK1 Q2M2I8 1/20 0.36
RAF1 P04049 14/20 0.34
BRAF P15056 11/20 0.34
ADH5 P11766 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL3776782 0.84 CHEK1 (0.41) SSTR5AAK1
SCHEMBL3778732 0.83 MAP4K4 (0.34) SSTR5ADH5
SCHEMBL3785603 0.81 FNTA (0.37) RAF1BRAF
SCHEMBL3147370 0.78 ABL1 (0.36) SSTR5RAF1BRAF
SCHEMBL3151064 0.77 RAF1 (0.38) RAF1BRAF
SCHEMBL3781094 0.76 KMO (0.38)
Hydrochloric Acid SCHEMBL3776849 0.76 SYK (0.39) SSTR5RAF1BRAF
SCHEMBL4672927 0.74 MAPKAPK2 (0.36) AAK1
SCHEMBL4793425 0.74 CYP26A1 (0.36) AAK1
SCHEMBL3779611 0.74 RXRA (0.35) RAF1BRAF

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 SSTR5 415/4885AAK1 4282/4885RAF1 2398/4885

“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.