SCHEMBL1696499

SCHEMBL1696499

CC1Cc2c(N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc(F)c2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
F10 P00742 1/20 0.44
KDM4D Q6B0I6 4/20 0.42
CTSK P43235 2/20 0.42
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SUV39H2 Q9H5I1 3/20 0.39

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
SCHEMBL1696511 0.91 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL1696512 0.87 MTNR1A (0.42) MTNR1AMTNR1BPDE10A
SCHEMBL1285571 0.87 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL1285176 0.87 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3428772 0.87 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL1285050 0.86 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1285845 0.84 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL1285121 0.84 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL1285591 0.83 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL1284713 0.82 MTNR1A (0.57) MTNR1AMTNR1B

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-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 US disclosed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 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-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS MTNR1A, MTNR1B, TPH2 PIM1 2871/4885PIM3 2701/4885PIM2 2279/4885

“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.