SCHEMBL2937707

SCHEMBL2937707

O=C(NC[C@H]1CNC[C@@H]1Cc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
OPRM1 P35372 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CCR3 P51677 1/20 0.44
MC4R P32245 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 1/20 0.43
REN P00797 2/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL5291134 1.00 GBA1 (0.51) GBA1SLC6A2SLC6A4GAAHPGD
SCHEMBL2932961 0.91 REN (0.53) GBA1SLC6A2SLC6A4NPC1RAB9A
SCHEMBL2936675 0.88 HPGD (0.56) HPGDSMN1; SMN2
SCHEMBL2932905 0.87 CCR3 (0.52) GBA1RAB9ACTSLCTSBCTSK
SCHEMBL3919458 0.81 USP2 (0.50) GBA1HPGDMC4RRENCTSD
SCHEMBL3913840 0.81 USP2 (0.50) GBA1HPGDMC4RRENCTSD
SCHEMBL14498500 0.79 SLC6A2 (0.49) SLC6A2SLC6A4GAAHPGDNPC1
SCHEMBL3911890 0.79 GBA1 (0.48) GBA1MC4RRENCTSDCTSE
SCHEMBL3910978 0.79 ALDH1A1 (0.58) GBA1HPGDNPC1RAB9AOPRM1
SCHEMBL3910631 0.79 GBA1 (0.50) GBA1MC4RRENCTSDCTSE

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US claimed
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
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 GBA1 1130/4885SLC6A2 472/4885SLC6A4 1057/4885

“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.