SCHEMBL5263136

SCHEMBL5263136

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PNP P00491 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ IDH1 O75874 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MCHR2 Q969V1 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL5263046 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6KMT2APNP
SCHEMBL5262331 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6KMT2APNP
SCHEMBL5265582 0.93 KMT2A (0.37) CYP1A2CYP3A4CYP2D6KMT2APNP
SCHEMBL5262576 0.93 KMT2A (0.37) CYP1A2CYP3A4CYP2D6KMT2APNP
SCHEMBL5262567 0.93 KMT2A (0.37) CYP1A2CYP3A4CYP2D6KMT2APNP
SCHEMBL5262413 0.81 POLB (0.33) POLBLMNA
SCHEMBL5261108 0.80 CYP19A1 (0.39) KMT2AIDH1POLBLMNA
SCHEMBL5264016 0.79 ENPP1 (0.36) KMT2APOLBLMNA
SCHEMBL5266123 0.77 MEN1 (0.50) KMT2ALMNA
SCHEMBL5264055 0.76 DPP4 (0.37) KMT2APOLBLMNA

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-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
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 CYP1A2 81/4885CYP3A4 148/4885CYP2D6 25/4885

“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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