SCHEMBL3427756

SCHEMBL3427756

O=C(O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.42
▸ CACNA1H O95180 11/20 0.41
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ GPR17 Q13304 1/20 0.39
▸ CACNA1B Q00975 7/20 0.39
▸ CACNA1C Q13936 6/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ AGBL2 Q5U5Z8 1/20 0.37

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
Lithium Ion SCHEMBL3427753 0.85 CACNA1H (0.41) EGLN1CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL12495908 0.81 CACNA1H (0.42) EGLN1CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL3424888 0.81 HSD17B10 (0.49) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844285 0.81 CACNA1H (0.53) EGLN1CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844077 0.79 CACNA1H (0.56) CACNA1HCACNA1G
SCHEMBL15843980 0.79 CACNA1H (0.56) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15850879 0.79 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844374 0.78 CACNA1H (0.70) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844774 0.78 CACNA1B (0.52) EGLN1CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844641 0.78 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 — — EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 — — US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 — — US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — 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 (2 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 EGLN1 3013/4885CACNA1H 1151/4885RXRA 707/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 EGLN1 3201/4885CACNA1H 1289/4885RXRA 511/4885

“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.

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