SCHEMBL5469050

SCHEMBL5469050

OCCc1csc2ccc(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.65
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.52
CA2 P00918 1/20 0.52
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.44
EPHX1 P07099 1/20 0.44
UTS2R Q9UKP6 3/20 0.42
SLC22A12 Q96S37 1/20 0.41
GAB1 Q13480 1/20 0.41

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
SCHEMBL18069863 0.86 CYP2A6 (0.47) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL2949120 0.86 CYP2A6 (0.69) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5476556 0.83 CYP2A6 (0.65) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5543498 0.83 CYP2A6 (0.65) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL4324624 0.83 CYP2A6 (0.75) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL27615372 0.83 CYP2A6 (0.65) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL9883963 0.83 CYP2A6 (0.65) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL4418009 0.80 CYP2A6 (0.71) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL8435709 0.80 CYP2A6 (0.61) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5542371 0.80 CYP2A6 (0.61) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2

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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A CYP2A6 1478/4885KEAP1 2597/4885NFE2L2 2528/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 CYP2A6 1274/4885KEAP1 2566/4885NFE2L2 2814/4885

“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.