SCHEMBL2929152

SCHEMBL2929152

BrCc1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.46
PTGS2 P35354 1/20 0.46
PTPRC P08575 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
FYN P06241 2/20 0.44
MAOB P27338 2/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL8988279 0.84 CA12 (0.51) PTPRCGABRA1GABRB2MAPTCA12
SCHEMBL18015825 0.83 MAPT (0.55) CALM1PTGS2PTPRCGABRA1GABRB2
SCHEMBL16675752 0.83 FYN (0.59) CALM1PTGS2PTPRCGABRA1GABRB2
SCHEMBL29629010 0.82 PTGS2 (0.58) PTGS2PTPRCGABRA1GABRB2SMN1; SMN2
SCHEMBL2692579 0.82 CA12 (0.59) PTGS2PTPRCGABRA1GABRB2SMN1; SMN2
SCHEMBL189831 0.80 TAAR1 (0.60) CALM1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL18014706 0.80 GABRA1 (0.45) CALM1PTGS2PTPRCGABRA1GABRB2
SCHEMBL16629591 0.80 TAAR1 (0.56) CALM1PTGS2PTPRCGABRA1GABRB2
SCHEMBL7947382 0.80 MMP3 (0.56) CALM1PTGS2PTPRCGABRA1GABRB2
SCHEMBL13802497 0.78 AGBL2 (0.60) PTGS2GABRA1GABRB2NPC1RAB9A

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 CALM1 1341/4885PTGS2 619/4885PTPRC 1205/4885

“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.