SCHEMBL6765343

SCHEMBL6765343

C[CH]CCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 4/20 0.55
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL1760708 0.84 HRH1 (0.52) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL1760709 0.84 HRH1 (0.52) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL15525892 0.81 HRH1 (0.57) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6758748 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL349709 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL2508761 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6159427 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL4572590 0.79 HRH1 (0.50) HRH1HRH3ALDH1A1LMNATAAR1

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-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US 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 (2 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 HRH1 3718/4885HRH3 3138/4885ALDH1A1 596/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 HRH1 3718/4885HRH3 3138/4885ALDH1A1 596/4885

“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.