SCHEMBL2937238

SCHEMBL2937238

O=C(CBr)NCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.59
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
CA9 Q16790 1/20 0.55
CYP2D6 P10635 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL22197123 1.00 EPHX1 (0.59) EPHX1CA12CA1CA2MMP1
SCHEMBL23153501 0.98 EPHX1 (0.55) EPHX1CA12CA1CA2MMP1
SCHEMBL21389180 0.93 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL3229640 0.89
SCHEMBL17787740 0.83 EPHX1 (0.59) EPHX1CA12CA1CA2MMP1
SCHEMBL14241831 0.81 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL10702291 0.81 CYP2D6 (0.61) EPHX1CA12CA1CA2MMP1
SCHEMBL8392787 0.81 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL8886 0.81 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL3318757 0.81 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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 EPHX1 664/4885CA12 3286/4885CA1 2395/4885

“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.