SCHEMBL1969010

SCHEMBL1969010

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.67
MTNR1B P49286 1/20 0.67
NPY5R Q15761 1/20 0.49
NOTUM Q6P988 2/20 0.49
CYP2C9 P11712 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD3 Q9NY59 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CASR P41180 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1969011 1.00 MTNR1A (0.67) MTNR1AMTNR1BNPY5RNOTUMCYP2C9
SCHEMBL1969230 0.89 MTNR1A (0.69) MTNR1AMTNR1BNPY5RNOTUMFFAR4
SCHEMBL1965717 0.89 MTNR1A (0.69) MTNR1AMTNR1BNPY5RNOTUMFFAR4
SCHEMBL1965545 0.85 MTNR1A (0.73) MTNR1AMTNR1BNPY5RSMPD3FFAR4
SCHEMBL1965540 0.85 MTNR1A (0.73) MTNR1AMTNR1BNPY5RSMPD3FFAR4
SCHEMBL1965037 0.83 MTNR1A (0.70) MTNR1AMTNR1BNPY5RCCNCCDK8
SCHEMBL1965039 0.83 MTNR1A (0.70) MTNR1AMTNR1BNPY5RCCNCCDK8
SCHEMBL1966444 0.83 MTNR1A (0.66) MTNR1AMTNR1BNPY5RNOTUMFFAR4
SCHEMBL1966446 0.83 MTNR1A (0.66) MTNR1AMTNR1BNPY5RNOTUMFFAR4
SCHEMBL8049478 0.83 MTNR1A (0.66) MTNR1AMTNR1BNPY5R

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 2/4885NPY5R 41/4885

“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.