SCHEMBL13063690

SCHEMBL13063690

CCC(F)(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
HTR2C P28335 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
IDO1 P14902 2/20 0.44
CES2 O00748 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
NOS3 P29474 1/20 0.42

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
SCHEMBL25450849 0.85 ACHE (0.46) HTR2AHTR2BHTR2CALDH1A1KIF11
SCHEMBL13241583 0.81 MAPK1 (0.47) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL22671430 0.81 ACHE (0.44) MAPK1TAAR1LMNAMAPTCES2
SCHEMBL23046868 0.81 TSHR (0.47) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL7903555 0.81 KCNN4 (0.44) TAAR1KIF11NFE2L2
SCHEMBL62723 0.81 TSHR (0.67) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL18465431 0.79 TSHR (0.45) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL24027816 0.79 CA1 (0.49) MAPK1TAAR1LMNAMAPTALDH1A1
SCHEMBL22671428 0.79 IDO1 (0.33) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL29408301 0.79 TSHR (0.61) TSHRMAPK1HTR2AHTR2BHTR2C

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 TSHR 1158/4885MAPK1 1259/4885HTR2A 512/4885

“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.