SCHEMBL3230582

SCHEMBL3230582

O=C(O)NC1CCN(CC2CCn3c(=O)sc4cccc2c43)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.35
SIGMAR1 Q99720 6/20 0.35
CCR3 P51677 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL3234303 0.82 SIGMAR1 (0.35) SIGMAR1L3MBTL1
SCHEMBL3225900 0.82 TEAD1 (0.36) SIGMAR1POLB
SCHEMBL3141765 0.74 SLC2A1 (0.42) CCR1SIGMAR1UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL3231865 0.73 KCNH2 (0.54)
SCHEMBL3231946 0.68 UBE2M (0.32) UBE2MDCUN1D1
SCHEMBL3557358 0.66 KCNH2 (0.44) CCR1SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL3155543 0.62 SLC2A1 (0.54) SIGMAR1L3MBTL1
SCHEMBL3148857 0.62 SLC2A1 (0.43) CCR1SIGMAR1
SCHEMBL4909423 0.62 CCR1 (0.50) CCR1SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL2425554 0.62 SIGMAR1 (0.78) SIGMAR1L3MBTL1POLB

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 CCR1 2145/4885SIGMAR1 380/4885CCR3 2361/4885

“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.