SCHEMBL19199575

SCHEMBL19199575

CCC1COc2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.44
FFAR1 O14842 5/20 0.43
TERT O14746 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
PNMT P11086 1/20 0.37
HTR2C P28335 4/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 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
SCHEMBL19194689 0.85 HCRTR2 (0.42) HCRTR2FFAR1TERTCYP1A2CYP2D6
SCHEMBL19195119 0.84 HCRTR2 (0.41) HCRTR2FFAR1TERTCYP1A2CYP2D6
SCHEMBL13981216 0.77 HTR1A (0.51) HCRTR2FFAR1HTR2CHTR1AHTR1D
SCHEMBL1723161 0.76 TERT (0.38) HCRTR2FFAR1TERTCYP1A2CYP2D6
SCHEMBL758865 0.76 PNMT (0.47) HCRTR2TERTCHRNB2CHRNA4CHRNB4
SCHEMBL9749380 0.76 DRD3 (0.50) CYP1A2CYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL31136214 0.75 HCRTR2 (0.44) HCRTR2TERTCYP1A2CYP2D6CHRNB2
SCHEMBL24090506 0.73 HTR2B (0.55) HCRTR2HTR1AHTR2B
SCHEMBL17107572 0.73 PNMT (0.45) HCRTR2FFAR1TERTCHRNB2CHRNA4
SCHEMBL21810954 0.71 HCRTR2 (0.43) HCRTR2FFAR1TERTCHRNB2CHRNA4

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-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT SENSOR PHARMACEUTICALS, INC. 2017-08-03 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-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT FABP2, GPBAR1, NR1H4 HCRTR2 166/4885FFAR1 55/4885TERT 4515/4885

“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.