SCHEMBL134401

SCHEMBL134401

COc1ccc2c(c1)C(CCN(C)C(=O)O)CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
MTNR1A P48039 6/20 0.42
CYP3A4 P08684 3/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 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
SCHEMBL9628106 0.81 PPARD (0.56) PPARGPPARDFFAR1
SCHEMBL3652699 0.80 MTNR1A (0.54) MTNR1A
SCHEMBL132847 0.77 MTNR1A (0.66) HTR2CMTNR1A
SCHEMBL172889 0.77 HTR1A (0.57) HTR1AHTR1DHTR2CMTNR1ACYP3A4
Methylamine SCHEMBL10700891 0.76 HTR1A (0.50) HTR1AHTR1DHTR2CMTNR1ACYP3A4
SCHEMBL136496 0.75 MTNR1A (0.64) MTNR1A
SCHEMBL24090506 0.75 HTR2B (0.55) HTR1AMTNR1ACYP3A4HCRTR1HCRTR2
SCHEMBL138000 0.74 MTNR1A (0.51) MTNR1A
SCHEMBL9628688 0.74 HTR2B (0.43) HTR1AHTR2CMTNR1ACYP3A4DRD2
SCHEMBL9627798 0.74 HTR1A (0.50) HTR1AHTR1DHTR2CMTNR1ACYP3A4

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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNATIONAL, S.A. (ES) 2012-03-08 US claimed
US-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNATIONAL, S.A. (ES) 2012-03-08 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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN MTNR1A, MTNR1B, CRY2 HTR1A 67/4885HTR1D 146/4885HTR2C 16/4885

“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.