SCHEMBL2374598

SCHEMBL2374598

O=C([C@H](Cc1ccccc1)NCc1ccc(-c2cncnc2)cc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.45
TACR1 P25103 3/20 0.42
ADAM17 P78536 1/20 0.42
SCD5 Q86SK9 2/20 0.42
SCD O00767 1/20 0.42
HPN P05981 2/20 0.41
HGFAC Q04756 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
CALCA P06881 1/20 0.40

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
SCHEMBL2374601 1.00 CCR1 (0.45) CCR1TACR1ADAM17SCD5SCD
SCHEMBL2375944 0.87 MCHR1 (0.45) TACR1
SCHEMBL2375951 0.87 MCHR1 (0.45) TACR1
SCHEMBL2376451 0.84 DPP4 (0.46) CCR1TACR1SCD5HPNHGFAC
SCHEMBL2376445 0.84 DPP4 (0.46) CCR1TACR1SCD5HPNHGFAC
SCHEMBL2374680 0.80 POLB (0.51) ADAM17ST14
SCHEMBL2374673 0.80 POLB (0.51) ADAM17ST14
SCHEMBL2373494 0.77 GPR142 (0.44) TACR1ADAM17
SCHEMBL2373502 0.77 GPR142 (0.44) TACR1ADAM17
SCHEMBL2375707 0.77 FPR2 (0.51)

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 CCR1 4595/4885TACR1 4560/4885ADAM17 2908/4885

“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.