SCHEMBL6095546

SCHEMBL6095546

CON=C1C[C@@H](C(=O)NC(CO)CO)N(C(=O)c2ccc(-c3cccc(C)c3C)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.62
AVPR1A P37288 5/20 0.62
FFAR2 O15552 7/20 0.36
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
AVPR2 P30518 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 3/20 0.33
MMP7 P09237 3/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL4943016 0.91 OXTR (0.60) OXTRAVPR1AFFAR2LMNAPKM
SCHEMBL4942152 0.87 OXTR (0.69) OXTRAVPR1AFFAR2LMNAPKM
SCHEMBL7085939 0.84 AVPR1A (0.61) OXTRAVPR1AFFAR2AVPR2HTR1D
SCHEMBL4949415 0.84 AVPR1A (0.61) OXTRAVPR1AFFAR2AVPR2HTR1D
SCHEMBL7219648 0.83 OXTR (0.75) OXTRAVPR1AFFAR2AVPR2MMP1
SCHEMBL4943349 0.83 OXTR (0.75) OXTRAVPR1AFFAR2AVPR2MMP1
SCHEMBL31156096 0.81 OXTR (0.85) OXTRAVPR1AFFAR2LMNAPKM
SCHEMBL31156302 0.81 OXTR (0.85) OXTRAVPR1AFFAR2LMNAPKM
SCHEMBL4945483 0.81 AVPR1A (0.75) OXTRAVPR1AFFAR2LMNAPKM
SCHEMBL7086121 0.80 AVPR1A (0.81) OXTRAVPR1AFFAR2AVPR2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1456/4885FFAR2 756/4885

“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.