SCHEMBL718570

SCHEMBL718570

COc1cc(C)c(C2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.65
PSEN1 P49768 1/20 0.65
PSEN2 P49810 1/20 0.65
APH1B Q8WW43 1/20 0.65
NCSTN Q92542 1/20 0.65
APH1A Q96BI3 1/20 0.65
PSENEN Q9NZ42 1/20 0.65

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
SCHEMBL7906669 1.00 CYP2C9 (0.65) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7906676 1.00 CYP2C9 (0.65) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7913011 0.89 PSEN1 (0.52) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7905581 0.89 PSEN1 (0.52) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL24913593 0.89 PSEN1 (0.52) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL956513 0.84 PSEN1 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL956227 0.84 PSEN1 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL956350 0.84 PSEN1 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL717975 0.82 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL954828 0.82 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN

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-20230029372-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-01-26 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 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-20230029372-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 CYP2C9 4783/4885PSEN1 15/4885PSEN2 26/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CYP2C9 2129/4885PSEN1 3/4885PSEN2 6/4885

“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.