SCHEMBL2937227

SCHEMBL2937227

COc1ccc(C(=O)O)cc1OCCNC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.65
MTNR1B P49286 3/20 0.65
TSHR P16473 3/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
TP53 P04637 1/20 0.56
SMPD1 P17405 4/20 0.54
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53

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
SCHEMBL2936709 0.89 MTNR1A (0.65) MTNR1AMTNR1BTSHRUSP2ALOX15
SCHEMBL8262722 0.84 HSD17B10 (0.62) MTNR1AMTNR1BTSHRUSP2ALOX15
SCHEMBL13433958 0.83 MTNR1A (0.68) MTNR1AMTNR1BTP53
SCHEMBL7334285 0.81 CA12 (0.69) TSHRHSD17B10CA12CA1CA2
SCHEMBL621879 0.81 CA12 (0.69) TSHRMAPK1CA12CA1CA2
SCHEMBL7358447 0.81 CA12 (0.69) TSHRMAPK1CA12CA1CA2
SCHEMBL6565977 0.80 TSHR (0.58) TSHRMAPK1CA12CA1CA2
SCHEMBL986354 0.80 CA12 (0.67) TSHRMAPK1CA12CA1CA2
SCHEMBL4377830 0.80 CA12 (0.67) TSHRCA12CA1CA2CA4
SCHEMBL4496535 0.80 SMPD1 (0.72) TSHRCA12CA1CA2CA4

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 7 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
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
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US 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 MTNR1A 1268/4885MTNR1B 654/4885TSHR 2000/4885

“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.