SCHEMBL95790

SCHEMBL95790

Cc1ccc2c(c1)C(CCN)CO2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.61
HTR1A P08908 2/20 0.61
HTR1D P28221 1/20 0.61
HTR2B P41595 2/20 0.44
SLC6A2 P23975 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CA2 P00918 1/20 0.38
HTR2A P28223 1/20 0.38
FFAR1 O14842 4/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
HCRTR2 O43614 1/20 0.37
CYP19A1 P11511 1/20 0.35
ADRA2A P08913 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL13981216 0.81 HTR1A (0.51) HTR2CHTR1AHTR1DHTR2BSLC6A2
SCHEMBL7752945 0.81 HTR1A (0.58) HTR2CHTR1AHTR1DHTR2BSLC6A2
SCHEMBL172889 0.80 HTR1A (0.57) HTR2CHTR1AHTR1DHTR2BSIGMAR1
SCHEMBL8130244 0.80 HTR1A (0.57) HTR2CHTR1AHTR1D
SCHEMBL30295621 0.80 HTR1A (0.43) HTR2CHTR1AHTR1DHTR2BSLC6A2
SCHEMBL6100632 0.80 HTR1A (0.43) HTR2CHTR1AHTR1DHTR2BSLC6A2
SCHEMBL6215060 0.77 HTR1A (0.57) HTR2CHTR1AHTR1DHCRTR2
SCHEMBL7757639 0.77 HTR2C (0.53) HTR2CHTR1AHTR1DSLC6A2HTR2A
SCHEMBL27347333 0.76 FFAR1 (0.60) FFAR1PPARGPPARD
SCHEMBL27347334 0.76 FFAR1 (0.60) FFAR1PPARGPPARD

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 1 patent. 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 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 HTR2C 16/4885HTR1A 67/4885HTR1D 146/4885

“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.