SCHEMBL684436

SCHEMBL684436

CC(=O)[C@@H](Cc1ccc(I)cc1)NCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
BACE1 P56817 1/20 0.45
TACR2 P21452 5/20 0.45
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45
KMT2A Q03164 1/20 0.44
ACACB O00763 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL14295176 0.88 ALDH1A1 (0.54) POLBTACR2KMT2AALDH1A1HPGD
SCHEMBL684440 0.79 GPR142 (0.43) TACR2ACACB
SCHEMBL10266645 0.79 ALDH1A1 (0.54) TACR2KMT2AALDH1A1HPGDCD274
SCHEMBL7287015 0.78 TACR2 (0.54) POLBTACR2KMT2AALDH1A1HPGD
SCHEMBL681503 0.77 ALDH1A1 (0.52) POLBTACR2KMT2AALDH1A1HPGD
SCHEMBL847408 0.70 TACR2 (0.58) TACR2KMT2AACACBALDH1A1CD274
SCHEMBL1512746 0.70 CD274 (0.75) POLBALDH1A1HPGDCD274
SCHEMBL24311576 0.70 CYP1A2 (0.44) ALDH1A1
SCHEMBL24311640 0.70 CYP1A2 (0.44) ALDH1A1
SCHEMBL8181698 0.70 ALDH1A1 (0.50) ALDH1A1

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 POLB 613/4885BACE1 3292/4885TACR2 2850/4885

“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.