SCHEMBL5265582

SCHEMBL5265582

COC[C@H]1CCCN1CCC1CCN(c2nc(=O)c3c(OC)c(OC)c(OC)cc3[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PNP P00491 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ MCHR1 Q99705 3/20 0.33
▸ MCHR2 Q969V1 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32

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
SCHEMBL5262576 1.00 KMT2A (0.37) KMT2ACYP1A2CYP3A4CYP2D6PNP
SCHEMBL5262567 1.00 KMT2A (0.37) KMT2ACYP1A2CYP3A4CYP2D6PNP
SCHEMBL5263046 0.93 CYP1A2 (0.35) KMT2ACYP1A2CYP3A4CYP2D6PNP
SCHEMBL5262331 0.93 CYP1A2 (0.35) KMT2ACYP1A2CYP3A4CYP2D6PNP
SCHEMBL5263136 0.93 CYP1A2 (0.35) KMT2ACYP1A2CYP3A4CYP2D6PNP
SCHEMBL5264055 0.83 DPP4 (0.37) KMT2ALMNAPOLB
SCHEMBL5263636 0.79 IMPDH2 (0.37) KMT2AIDH1LMNAPOLB
SCHEMBL5263551 0.79 ENPP1 (0.37) KMT2ALMNAPOLB
SCHEMBL5265193 0.77 PDE3B (0.39) KMT2A
SCHEMBL5262646 0.76 MEN1 (0.54) KMT2ALMNA

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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 KMT2A 3011/4885CYP1A2 81/4885CYP3A4 148/4885

“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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