SCHEMBL2544095

SCHEMBL2544095

BrCc1cccc2c1OCCCO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MTNR1A P48039 6/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
EED O75530 1/20 0.37
CXCR2 P25025 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
DAO P14920 1/20 0.36
ADRB1 P08588 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2023947 0.92 MTNR1A (0.53) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL29791651 0.82 EED (0.46) MTNR1AEED
SCHEMBL2168952 0.82 EED (0.46) MTNR1AEED
SCHEMBL5018846 0.82 MTNR1A (0.48) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL114893 0.81 KDM1A (0.49) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL3077223 0.81 MTNR1A (0.50) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL10271919 0.81 MTNR1A (0.54) KDM1AMAOAMAOBMTNR1AROCK2
Hydrochloric Acid SCHEMBL2462170 0.80 KDM1A (0.48) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL1253655 0.79 MTNR1A (0.59) KDM1AMAOAMAOBMTNR1AROCK2
SCHEMBL6651846 0.78 MTNR1A (0.55) KDM1AMAOAMAOBMTNR1AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US 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 (2 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 KDM1A 2117/4885MAOA 209/4885MAOB 157/4885
US-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS KDM1A 932/4885MAOA 1019/4885MAOB 1094/4885

“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.