SCHEMBL7137759

SCHEMBL7137759

CN(C)/N=C1/C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.77
AVPR1A P37288 2/20 0.65
ADRB3 P13945 2/20 0.39
ADRB1 P08588 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCAT2 O15382 1/20 0.36
CFD P00746 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PRMT5 O14744 1/20 0.34
ROCK2 O75116 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
SCHEMBL7079837 1.00 OXTR (0.77) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL7137761 1.00 OXTR (0.77) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL7089595 0.88 OXTR (0.78) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4945256 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4936835 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4945247 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4936262 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4944776 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4944386 0.87 OXTR (1.00) OXTRAVPR1AADRB3ADRB1LMNA
SCHEMBL4942988 0.83 OXTR (0.71) OXTRAVPR1AADRB3ADRB1LMNA

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 203/4885ADRB3 681/4885

“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.