SCHEMBL4597897

SCHEMBL4597897

Cc1ccc(F)c(C(N)CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 1/20 0.36
MC4R P32245 3/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL18793777 1.00 ADRA2C (0.36) ADRA2CADRA1AADRA1BMC4RADRA2A
SCHEMBL8514447 0.81 PSEN1 (0.43) ADRA2CADRA1AADRA1BTRPA1PSEN1
SCHEMBL8514443 0.81 PSEN1 (0.43) ADRA2CADRA1AADRA1BTRPA1PSEN1
SCHEMBL20738544 0.79 LMNA (0.38) ADRA2CADRA1AADRA2AADRA2BTRPA1
SCHEMBL26931398 0.78 DPP4 (0.41) ADRA2CADRA1AADRA1BADRA2AADRA2B
SCHEMBL16954329 0.78 TRPA1 (0.33) ADRA2CADRA1AADRA2AADRA2BTRPA1
SCHEMBL6280754 0.77 ADRA2A (0.45) ADRA1AADRA2ACHRM1MAPK1
SCHEMBL6280768 0.77 ADRA2A (0.45) ADRA1AADRA2ACHRM1MAPK1
SCHEMBL25752840 0.77 MAPT (0.40) ADRA2CADRA1AADRA1BMC4RRAB9A
SCHEMBL18793781 0.77 TDP1 (0.40) ADRA1ATRPA1LMNACHRM1SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ADRA2C 660/4885ADRA1A 1132/4885ADRA1B 1116/4885

“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.