SCHEMBL2936741

SCHEMBL2936741

O=C(O)NCc1ccc2occc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
HTR1B P28222 5/20 0.48
CTNNB1 P35222 5/20 0.47
WNT3A P56704 5/20 0.47
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CYP2A6 P11509 1/20 0.41
HDAC1 Q13547 1/20 0.41
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
IDO1 P14902 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
SCHEMBL12773613 0.87 AURKA (0.48) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL16596460 0.86 AURKA (0.46) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL13073662 0.86 ALDH1A1 (0.51) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL13034791 0.82 ERCC1 (0.56) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL12773619 0.80 HTR1B (0.45) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL6029079 0.79 AURKA (0.47) AURKARPS6KB1HTR1BCTNNB1WNT3A
SCHEMBL25385313 0.79 KDM4A (0.44) AURKARPS6KB1HTR1BCYP2C19HDAC1
SCHEMBL30574996 0.79 KDM4A (0.44) AURKARPS6KB1HTR1BCYP2C19HDAC1
SCHEMBL103859 0.78 GAA (0.53) HTR1BCTNNB1WNT3APOLBTDP1
SCHEMBL12773626 0.78 HTR1B (0.49) AURKARPS6KB1HTR1BCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD AURKA 4797/4885RPS6KB1 1763/4885HTR1B 2028/4885

“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.