SCHEMBL2417841

SCHEMBL2417841

O=c1[nH]c2cc(C(F)(F)F)cc(Br)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
GRIN1 Q05586 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL2639502 0.86 GRIN1 (0.45) RIPK1EGLN1GRIN1HSD17B10ALDH1A1
SCHEMBL23269912 0.81 MAPT (0.44) MAPTABCG2KMT2AGRIN1HSD17B10
SCHEMBL2418890 0.80 CACNA1H (0.41) EGLN1MAPTABCG2KMT2A
SCHEMBL30211489 0.80 MAPT (0.36) MAPTABCG2KMT2AGRIN1CA12
SCHEMBL24898687 0.80 MAPT (0.36) MAPTABCG2KMT2AGRIN1CA12
SCHEMBL2419473 0.79 ALDH1A1 (0.38) MAPTABCG2KMT2AGRIN1CA12
SCHEMBL2420442 0.79 GRIN1 (0.42) EGLN1MAPTABCG2KMT2AGRIN1
SCHEMBL2419588 0.79 BRAF (0.35) MAPTABCG2KMT2AGRIN1CA12
SCHEMBL8872726 0.77 GRIN1 (0.37) RIPK1EGLN1MAPTGRIN1CA12
SCHEMBL8872732 0.77 GRIN1 (0.37) RIPK1EGLN1MAPTGRIN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-7557120-B2 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-7557120-B2 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-04 US disclosed
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-04 US disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 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 (3 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 RIPK1 2984/4885EGLN1 3489/4885MAPT 1103/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 RIPK1 2916/4885EGLN1 3551/4885MAPT 802/4885
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity CCR2, CCR1, CCR8 RIPK1 4551/4885EGLN1 1970/4885MAPT 4550/4885

“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.