SCHEMBL5021160

SCHEMBL5021160

Cc1cc(F)cc(C(C)Nc2cc(F)ccc2S(C)(=O)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
NTRK1 P04629 1/20 0.38
ALK Q9UM73 1/20 0.38
SCN1A P35498 6/20 0.35
SCN5A Q14524 6/20 0.35
SCN8A Q9UQD0 6/20 0.35
NR1I2 O75469 2/20 0.35
SCN1B Q07699 2/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
HTR6 P50406 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34

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
SCHEMBL5021157 0.88 CCR2 (0.43) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1748290 0.85 HTR6 (0.44) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5021159 0.81 HTR6 (0.58) HTR6
SCHEMBL1748381 0.77 HTR6 (0.48) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1748370 0.76 KMT2A (0.43) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5321618 0.75 SCN1A (0.44) CCR2SCN1ASCN5ASCN8ANR1I2
SCHEMBL1748401 0.74 CCR2 (0.49) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1749334 0.72 HTR6 (0.50) CCR2ADRA1DADRA1AADRA1BSCN1A
SCHEMBL5021123 0.72 CCR2 (0.39) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5021092 0.72 CCR2 (0.47) CCR2ADRA2AADRA2CADRA1DADRA1A

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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B CCR2 1022/4885ADRA2A 31/4885ADRA2C 24/4885

“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.