SCHEMBL1664740

SCHEMBL1664740

CC(C)(C)OC(=O)N1CCC(c2nc(C3CCOCC3)cn2CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
PRKCB P05771 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
THRB P10828 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL16457034 0.93 TRPV3 (0.45) TRPV3USP2GPR119THRBKDM4E
SCHEMBL16457717 0.91 TRPV3 (0.44) TRPV3USP2RPS6KB1AKT1GPR119
SCHEMBL1662665 0.89 RPS6KB1 (0.52) RECQLTRPV3SMN1; SMN2USP2PRKCB
SCHEMBL16457454 0.89 THRB (0.41) RECQLTRPV3SMN1; SMN2USP2PRKCB
SCHEMBL9895459 0.87 GPR119 (0.40) RECQLSMN1; SMN2USP2PRKCBRPS6KB1
SCHEMBL9894499 0.86 PRKCB (0.39) RECQLTRPV3SMN1; SMN2USP2PRKCB
SCHEMBL9894818 0.84 RPS6KB1 (0.41) PRKCBRPS6KB1AKT1RPS6KA1LMNA
SCHEMBL12799174 0.83 RPS6KB1 (0.41) PRKCBRPS6KB1AKT1RPS6KA1
SCHEMBL16457324 0.83 GPR119 (0.45) TRPV3SMN1; SMN2GPR119THRBKDM4E
SCHEMBL9927822 0.82 KDM4E (0.44) TRPV3SMN1; SMN2USP2GPR119THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 WO 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 RECQL 2833/4885TRPV3 4554/4885SMN1; SMN2 4464/4885

“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.