SCHEMBL3785603

SCHEMBL3785603

CN(C(=O)OC(C)(C)C)C1(CNc2cnc(Cl)c(-c3cccc(C(=O)O)c3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.37
FNTB P49356 6/20 0.37
PGGT1B P53609 5/20 0.37
PTGER1 P34995 2/20 0.34
EIF4EBP1 Q13541 3/20 0.34
DDT P30046 1/20 0.33
USP30 Q70CQ3 1/20 0.33
RORC P51449 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
PAK1 Q13153 1/20 0.33
PDE5A O76074 1/20 0.33
P2RX3 P56373 1/20 0.33
PTK2 Q05397 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
SCHEMBL3147123 0.84 PTGER1 (0.35) PTGER1DDTUSP30
SCHEMBL3781094 0.84 KMO (0.38) FNTAFNTBPGGT1BUSP30
SCHEMBL3768495 0.81 SSTR5 (0.37) RAF1BRAF
Hydrochloric Acid SCHEMBL3774096 0.77 FNTA (0.40) FNTAFNTBPGGT1BPTGER1EIF4EBP1
SCHEMBL3776782 0.76 CHEK1 (0.41)
SCHEMBL4672927 0.76 MAPKAPK2 (0.36) P2RX3
SCHEMBL3776682 0.75 JMJD6 (0.36)
SCHEMBL3779611 0.75 RXRA (0.35) PTGER1DDTRAF1BRAF
SCHEMBL3767931 0.74 RXRA (0.36) PTGER1DDT
SCHEMBL3146191 0.74 MAP4K4 (0.37)

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 FNTA 3433/4885FNTB 1606/4885PGGT1B 1809/4885

“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.