SCHEMBL1965037

SCHEMBL1965037

COc1cccc(N2CC[C@H](NC(=O)C3CC3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.70
MTNR1B P49286 5/20 0.70
TP53 P04637 2/20 0.58
KMT2A Q03164 2/20 0.51
NPY5R Q15761 1/20 0.51
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
CHRM4 P08173 1/20 0.48
USP30 Q70CQ3 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
MDM4 O15151 1/20 0.47

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
SCHEMBL1965039 1.00 MTNR1A (0.70) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1965540 0.88 MTNR1A (0.73) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1965545 0.88 MTNR1A (0.73) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1964369 0.87 MTNR1A (0.83) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1967518 0.87 MTNR1A (0.83) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1965717 0.84 MTNR1A (0.69) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1969230 0.84 MTNR1A (0.69) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1966085 0.84 MTNR1A (0.69) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1969779 0.84 MTNR1A (0.69) MTNR1AMTNR1BTP53KMT2ANPY5R
SCHEMBL1969011 0.83 MTNR1A (0.67) MTNR1AMTNR1BTP53KMT2ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184594-A1 PHENYLPYRROLIDINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2012-07-19 US claimed
EP-2203422-B1 PHENYLPYRROLIDINE COMPOUNDS FERRER INT (ES) 2011-06-22 EP claimed
US-20120184594-A1 PHENYLPYRROLIDINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2012-07-19 US disclosed
EP-2203422-B1 PHENYLPYRROLIDINE COMPOUNDS FERRER INT (ES) 2011-06-22 EP 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-20120184594-A1 PHENYLPYRROLIDINE COMPOUNDS MTNR1A, MTNR1B, MC4R MTNR1A 1/4885MTNR1B 2/4885TP53 4108/4885

“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.