SCHEMBL680140

SCHEMBL680140

C=C1CN(C[C@H](C(=O)C(C)C)c2ccc(Cl)cc2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ MC4R P32245 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL680750 0.88 SMN1; SMN2 (0.51) SLC6A2SLC6A4SMN1; SMN2NTSR1POLB
SCHEMBL679657 0.84 SLC6A2 (0.50) SLC6A2SLC6A4NTSR1MC4RPOLB
SCHEMBL680962 0.84 SLC6A2 (0.50) SLC6A2SLC6A4NTSR1MC4RPOLB
SCHEMBL679611 0.79 NTSR1 (0.56) SMN1; SMN2NTSR1MC4RPOLBUSP2
SCHEMBL679633 0.79 NTSR1 (0.53) SLC6A2SMN1; SMN2NTSR1MC4RPOLB
SCHEMBL680117 0.79 NTSR1 (0.53) SLC6A2SMN1; SMN2NTSR1MC4RPOLB
SCHEMBL681186 0.79 NTSR1 (0.53) SLC6A2SMN1; SMN2NTSR1MC4RPOLB
SCHEMBL12194487 0.78 NTSR1 (0.59) SLC6A2SMN1; SMN2NTSR1POLBUSP2
SCHEMBL681153 0.78 NTSR1 (0.59) SLC6A2SMN1; SMN2NTSR1POLBUSP2
SCHEMBL681312 0.78 NTSR1 (0.59) SLC6A2SMN1; SMN2NTSR1POLBUSP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SMN1; SMN2 3564/4885

“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.

Send feedback