SCHEMBL20528708

SCHEMBL20528708

CC(C)N1CCC[C@H](Cn2c(-c3ccccc3F)nc3ccc(Oc4ccc5ncsc5c4)cc3c2=O)C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.71
GHSR Q92847 16/20 0.68
KCNH2 Q12809 8/20 0.68
CYP3A4 P08684 1/20 0.55

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
SCHEMBL20528709 1.00 CYP2D6 (0.71) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL24060790 0.93 CYP2D6 (0.61) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL21686465 0.93 CYP2D6 (0.77) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528748 0.88 GHSR (0.58) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528750 0.88 GHSR (0.58) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL24060800 0.86 CYP2D6 (0.67) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528911 0.85 CYP2D6 (0.74) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528914 0.85 CYP2D6 (0.74) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528751 0.84 GHSR (0.68) CYP2D6GHSRKCNH2CYP3A4
SCHEMBL20528752 0.84 GHSR (0.68) CYP2D6GHSRKCNH2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186571-B2 Quinazolinone derivatives useful for imaging LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2021-11-30 US disclosed
US-11186571-B2 Quinazolinone derivatives useful for imaging LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2021-11-30 US disclosed
US-20200031821-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2020-01-30 US disclosed
US-20200031821-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2020-01-30 US disclosed
WO-2018184115-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2018-10-11 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 (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-20200031821-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING TNNI3, KLK3, BRDT CYP2D6 409/4885GHSR 1991/4885KCNH2 143/4885
US-11186571-B2 Quinazolinone derivatives useful for imaging TNNI3, KLK3, BRDT CYP2D6 409/4885GHSR 1991/4885KCNH2 143/4885

“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.