SCHEMBL3070112

SCHEMBL3070112

CCCc1c(Br)ccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL29131022 0.84 MAPT (0.38) HSP90AA1MAPTHTTLMNAALDH1A1
SCHEMBL2084320 0.69
SCHEMBL11865950 0.68
SCHEMBL11916708 0.66
SCHEMBL2552339 0.65 ALDH1A1 (0.46) MAPTHTTLMNAALDH1A1
SCHEMBL20128357 0.65 DAO (0.32)
SCHEMBL15528571 0.64
SCHEMBL30979017 0.64 MAPT (0.38) HSP90AA1MAPTHTTLMNAALDH1A1
SCHEMBL27707617 0.62 GPR84 (0.37) HSP90AA1MAPTHTTALDH1A1
SCHEMBL14163807 0.61 CA2 (0.34) ALDH1A1

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-20100267713-A1 4,4-DISUBSTITUTED PIPERIDINES HEROLD PETER 2010-10-21 US disclosed
EP-2215088-A2 4,4-DISUBSTITUTED PIPERDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-08-11 EP disclosed
WO-2009056617-A2 4,4-DISUBSTITUTED PIPERDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-05-07 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-20100267713-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 HSP90AA1 2025/4885MAPT 3847/4885HTT 3963/4885

“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.