SCHEMBL3777217

SCHEMBL3777217

CC(C)(C)N(CC1(COc2cnc(Cl)c(-c3cccc(-c4nn[nH]n4)c3)c2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
EGLN1 Q9GZT9 2/20 0.37
GP6 Q9HCN6 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FAAH O00519 1/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3779571 0.93 XDH (0.38) CYP2C9CYP2C19
SCHEMBL3782751 0.85 FFAR4 (0.41)
SCHEMBL3774165 0.84 FFAR4 (0.35) MAPTKMT2A
SCHEMBL3151053 0.83 CREBBP (0.43) CREBBPPTGDR2EGLN1GP6SLC22A12
SCHEMBL3151049 0.83 EGLN1 (0.43) CREBBPEGLN1GP6SLC22A12FAAH
SCHEMBL3778433 0.82 ABL1 (0.39) SLC22A12
SCHEMBL3145250 0.81 IDO1 (0.42) CREBBPEGLN1GP6SLC22A12IDO1
Hydrochloric Acid SCHEMBL3774366 0.80 IDO1 (0.41) CREBBPEGLN1GP6SLC22A12IDO1
SCHEMBL3777920 0.80 FFAR4 (0.36) SLC22A12
SCHEMBL3781385 0.80 FFAR4 (0.38)

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 CREBBP 3948/4885PTGDR2 442/4885EGLN1 3487/4885

“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.