SCHEMBL4601776

SCHEMBL4601776

COCCc1c[c]ccc1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.35
ADRA1A P35348 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
AOC3 Q16853 1/20 0.32
IDO1 P14902 2/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL3360209 0.89 TAAR1 (0.33) TAAR1ADRA1ASIGMAR1
SCHEMBL3547466 0.83 HMGCR (0.43) TAAR1ADRA1ASIGMAR1ALDH1A1GAA
SCHEMBL3338179 0.82
SCHEMBL27588198 0.81 TAAR1 (0.35) TAAR1ADRA1ASIGMAR1AOC3IDO1
SCHEMBL7388700 0.81 TAAR1 (0.35) TAAR1ADRA1ASIGMAR1AOC3IDO1
SCHEMBL4603162 0.81 KDM4E (0.30) ALDH1A1
SCHEMBL7691596 0.81 IDO1 (0.37) TAAR1ADRA1ASIGMAR1AOC3IDO1
SCHEMBL6313680 0.79 HTR2A (0.46) AOC3
SCHEMBL11560689 0.79 ALOX5 (0.49)
SCHEMBL457842 0.79 TAAR1 (0.37) TAAR1IDO1HTTL3MBTL1CHRM2

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-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 TAAR1 608/4885ADRA1A 27/4885SIGMAR1 1008/4885

“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.