SCHEMBL5929231

SCHEMBL5929231

C1=C(N2CCCCC2Cc2ccccc2)OCO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 12/20 0.45
▸ PIK3C3 Q8NEB9 9/20 0.45
▸ ATR Q13535 1/20 0.45
▸ PRKDC P78527 1/20 0.44
▸ GBA1 P04062 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.40

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
SCHEMBL3569162 0.96 ATM (0.44) ATMPIK3C3ATRPRKDCROCK2
SCHEMBL1463669 0.81 SLC6A2 (0.38) —
SCHEMBL6709256 0.72 TSHR (0.52) ATM
SCHEMBL4722408 0.72 FAAH (0.46) —
SCHEMBL7018775 0.71 ROCK2 (0.45) ATMPIK3C3ATRPRKDCGBA1
SCHEMBL15094982 0.69 SLC6A2 (0.46) ATMPIK3C3ATRPRKDCGBA1
SCHEMBL27304337 0.69 HSD11B1 (0.45) —
SCHEMBL350911 0.69 HSD11B1 (0.48) —
SCHEMBL7413375 0.69 HSD11B1 (0.45) —
SCHEMBL2606119 0.69 ADRA2A (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — US disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 ATM 1470/4885PIK3C3 2365/4885ATR 1530/4885

“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.

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