SCHEMBL5842929

SCHEMBL5842929

[CH2]C(c1ccncc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 2/20 0.37
CYP19A1 P11511 3/20 0.35
MAPT P10636 2/20 0.35
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
PKN2 Q16513 3/20 0.33
RPS6KA5 O75582 2/20 0.33
LRRK2 Q5S007 2/20 0.33
TP53 P04637 2/20 0.33
CHUK O15111 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33
PRKX P51817 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
SCHEMBL5843901 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL5843905 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL8910330 0.90 CYP19A1 (0.41) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL498415 0.76 IDO1 (0.48) MAPTCYP2D6TSHRLMNA
SCHEMBL23532675 0.73 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP19A1TP53
SCHEMBL17423955 0.73 MAPT (0.39) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL6584164 0.73 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP19A1TP53
SCHEMBL3948745 0.73 CYP3A4 (0.39) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL8463112 0.69 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL8200196 0.68 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19

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-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 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-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 SLC6A4 1567/4885SLC6A2 1916/4885SLC6A3 2184/4885

“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.