SCHEMBL3616152

SCHEMBL3616152

CCC(CCCCl)C(=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
MAPK1 P28482 2/20 0.47
CA1 P00915 4/20 0.41
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
SLC1A3 P43003 2/20 0.32
TSHR P16473 2/20 0.32
GRIK1 P39086 2/20 0.32

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
SCHEMBL183582 0.94 CA2 (0.45) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL3014658 0.83 CA2 (0.68) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL1131871 0.83 CA2 (0.68) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL10902355 0.80 CA2 (0.46) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL11274429 0.78 CA2 (0.45) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL11222520 0.78 CA2 (0.45) CA2MAPK1CA1TDP1TSHR
SCHEMBL3020928 0.78 CHRM1 (0.56) CA2MAPK1CA1CHRM1AKR1A1
Hydrochloric Acid SCHEMBL30807529 0.78 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL165103 0.77 CA2 (0.44) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL4142302 0.75 CA2 (0.63) CA2MAPK1CA1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
EP-2240478-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-10-20 EP disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 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-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS MC4R, MC5R, MC3R CA2 4300/4885MAPK1 2514/4885CA1 4654/4885

“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.