SCHEMBL5734599

SCHEMBL5734599

CCN(CC)CCNC(=O)C1CC(=NOCc2ccc(OC)cc2)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.53
AVPR1A P37288 2/20 0.45
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
MMP7 P09237 2/20 0.40
MMP13 P45452 2/20 0.40
GHSR Q92847 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP9 P14780 5/20 0.38
ADAM17 P78536 2/20 0.38
ADAM9 Q13443 2/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4939513 1.00 OXTR (0.53) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL7081115 1.00 OXTR (0.53) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5472710 0.89 OXTR (0.46) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5472707 0.89 OXTR (0.46) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL7088778 0.88 OXTR (0.49) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4941713 0.88 OXTR (0.49) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4939740 0.87 OXTR (0.68) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4941411 0.85 AGTR2 (0.41) OXTRMMP1MMP3MMP7MMP13
SCHEMBL4941413 0.85 AGTR2 (0.41) OXTRMMP1MMP3MMP7MMP13
SCHEMBL4936042 0.83 OXTR (0.49) OXTRAVPR1AMMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US 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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885MMP1 4354/4885

“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.