SCHEMBL1798003

SCHEMBL1798003

O=C(O)c1ccc(OCCCCCCl)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.72
TSHR P16473 1/20 0.72
PLA2G4B P0C869 7/20 0.70
RARB P10826 4/20 0.66
HTT P42858 3/20 0.66
PKM P14618 1/20 0.65
PLA2G4A P47712 1/20 0.62
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL7401721 0.98 TP53 (0.69) TP53TSHRPLA2G4BRARBHTT
SCHEMBL177170 0.92 PKM (0.69) TP53TSHRPLA2G4BRARBHTT
SCHEMBL2183388 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7911508 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL26136333 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL2181009 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL209561 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL2180731 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL14097198 0.92 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
Hydrochloric Acid SCHEMBL2039843 0.91 PKM (0.67) TP53TSHRPLA2G4BRARBHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
US-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
US-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
CN-101142180-B Pyrrolidine derivatives as histamine h3 receptor antagonists LILLY CO ELI 2011-05-04 CN disclosed
EP-1861360-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-02 EP disclosed
EP-1861360-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-02 EP disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
CN-101142180-A Pyrrolidine derivatives as histamine h3 receptor antagonists LILLY CO ELI (US) 2008-03-12 CN disclosed
US-5650416-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-22 US disclosed
US-5631268-A ANTIALLERGENS, 5HT2 RECEPTOR ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-20 US disclosed
US-5602147-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-02-11 US disclosed
US-5596003-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-01-21 US disclosed
US-5541200-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1996-07-30 US disclosed
US-5476861-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEURICALS INC. (US) 1995-12-19 US disclosed
EP-0626968-A4 1995-01-04 EP disclosed
EP-0626968-A1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1994-12-07 EP disclosed
US-5371093-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
WO-1993016081-A1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO 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-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists HRH3, HCRTR1, HRH4 TP53 4281/4885TSHR 464/4885PLA2G4B 2091/4885

“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.