SCHEMBL2931101

SCHEMBL2931101

COC(=O)c1ccc(OC)c(OCCN)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
SMPD1 P17405 4/20 0.52
KMT2A Q03164 3/20 0.51
PRSS1 P07477 4/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL16533382 0.94 MAPT (0.60) MAPTKMT2APRSS1TSHRMAPK1
SCHEMBL9798517 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL18031268 0.86 MAPT (0.62) MAPTSMPD1KMT2ATSHRTP53
SCHEMBL1013052 0.86 MAPT (0.62) MAPTSMPD1KMT2ATSHRTP53
SCHEMBL3372285 0.85 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL4841298 0.85 LMNA (0.47) MAPTMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL13461264 0.85 SMPD1 (0.67) MAPTSMPD1KMT2ATP53PDE4D
SCHEMBL1011139 0.85 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL17992557 0.85 KDM4E (0.55) MAPTKMT2ATSHRSMN1; SMN2LMNA
SCHEMBL1012841 0.85 MAPT (0.60) MAPTSMPD1KMT2ATSHRTP53

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
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 MAPT 1893/4885SMPD1 423/4885KMT2A 3722/4885

“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.