SCHEMBL1285065

SCHEMBL1285065

CCC1Cc2c(N)cccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
DRD1 P21728 2/20 0.36
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
CD44 P16070 2/20 0.32
CYP3A4 P08684 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL1285505 0.87 MTNR1A (0.38) KDM4EALDH1A1DRD1MTNR1AMTNR1B
SCHEMBL3949645 0.83 KDM4E (0.38) MAOAKDM4EALDH1A1HPGDDRD1
SCHEMBL18474141 0.82 MAOA (0.50) MAOACYP1A2TSHRCYP2C19HSD17B10
SCHEMBL5542883 0.79 MAOA (0.44) MAOACYP1A2TSHRCYP2C19HSD17B10
SCHEMBL1285635 0.79 MAOA (0.51) MAOACYP1A2TSHRCYP2C19HSD17B10
SCHEMBL1285321 0.77 PARP1 (0.45) MAOATSHRHSD17B10KDM4EALDH1A1
SCHEMBL434338 0.71 HRH3 (0.49) MAOA
SCHEMBL1285112 0.70 DPP4 (0.40) MTNR1AMTNR1BMAPT
SCHEMBL31596095 0.70 PARP1 (0.37) MAOACYP1A2TSHRCYP2C19HSD17B10
SCHEMBL1612974 0.68 PKM (0.35) MAOACYP1A2CYP2C19HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443108-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS Ferrer Internacional, S.A. (ES) 2012-04-25 EP disclosed
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
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
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
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
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO disclosed
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO 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 MAOA 98/4885CYP1A2 328/4885TSHR 1254/4885

“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.