SCHEMBL684440

SCHEMBL684440

CC(=O)[C@@H](Cc1ccc(I)cc1)NCCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.43
BCHE P06276 1/20 0.40
ACACB O00763 2/20 0.39
BRD4 O60885 2/20 0.35
PRMT3 O60678 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
DPP4 P27487 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TACR2 P21452 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
NAMPT P43490 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
SCHEMBL12188589 0.88 GPR142 (0.43) GPR142BCHEACACBKDM1AMAOA
SCHEMBL684436 0.79 POLB (0.46) ACACBTACR2
SCHEMBL681504 0.77 GPR142 (0.42) GPR142BCHEACACBKDM1AMAOA
SCHEMBL684454 0.76 ACACB (0.40) ACACBTACR2
SCHEMBL24311640 0.70 CYP1A2 (0.44) DPP4
SCHEMBL24311576 0.70 CYP1A2 (0.44) DPP4
SCHEMBL16431677 0.68 MAOB (0.40) ACACBDPP4MAOBTACR2
SCHEMBL684223 0.68 CCR2 (0.41) ACACBDPP4
SCHEMBL10077582 0.67 CTSS (0.53) ITGB3ITGA2B
SCHEMBL14295176 0.67 ALDH1A1 (0.54) MAOAMAOBTACR2

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-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885BCHE 4389/4885ACACB 3204/4885

“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.