SCHEMBL1272155

SCHEMBL1272155

CC(C)C(N)=Nc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3A P46098 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
TAAR1 Q96RJ0 3/20 0.55
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.41
S100B P04271 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
IDO1 P14902 3/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL24456383 0.79 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2861960 0.78 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5241540 0.77 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1116448 0.73 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6547698 0.69 ESR1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1387533 0.69 NOS3 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750685 0.69 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL27778652 0.68 NOS3 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22495607 0.67 S100B (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22495606 0.67 S100B (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 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-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 HTR3E 1061/4885HTR3B 474/4885HTR3A 880/4885

“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.