SCHEMBL6301198

SCHEMBL6301198

c1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
KCNH2 Q12809 2/20 0.62
HRH1 P35367 1/20 0.62
KDR P35968 1/20 0.61
LTA4H P09960 1/20 0.57
HRH4 Q9H3N8 1/20 0.56
ACHE P22303 1/20 0.56
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54

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
SCHEMBL6534972 0.93 HRH3 (0.86) HRH3KDRLTA4HACHEPDGFRB
SCHEMBL4065305 0.89 HRH3 (0.81) HRH3KDRHRH4
SCHEMBL23259788 0.84 HRH3 (0.72) HRH3KCNH2HRH1HRH4
SCHEMBL29712363 0.84 HRH3 (0.72) HRH3KCNH2HRH1HRH4
SCHEMBL23259787 0.83 HRH3 (0.71) HRH3KCNH2HRH1HRH4
SCHEMBL29712365 0.83 HRH3 (0.71) HRH3KCNH2HRH1HRH4
SCHEMBL5076089 0.82 KDR (0.90) HRH3KDRPDGFRBPDGFRA
SCHEMBL4058775 0.79 HRH3 (0.65) HRH3KDRPDGFRBPDGFRA
SCHEMBL19719043 0.79 CTSV (0.67) HRH3LTA4H
SCHEMBL5639861 0.78 ACHE (0.89) HRH3LTA4HACHE

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-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US claimed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 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 (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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC HRH3 1173/4885KCNH2 1952/4885HRH1 2873/4885

“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.