SCHEMBL7087086

SCHEMBL7087086

CON=C1C[C@@H](C(=O)NC[C@H](O)c2ccc(O)cc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.90
AVPR1A P37288 3/20 0.76
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRB3 P13945 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
ADRB1 P08588 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 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
SCHEMBL4936262 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4944776 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4945247 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4945256 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4936835 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4944386 0.95 OXTR (1.00) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL7088046 0.91 OXTR (0.76) OXTRAVPR1A
SCHEMBL7086784 0.90 OXTR (0.74) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4943085 0.89 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4942134 0.89 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR OXTR 1/4885AVPR1A 203/4885LMNA 4054/4885

“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.