SCHEMBL3480679

SCHEMBL3480679

Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(n3ccnc3)CC2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
BRAF P15056 17/20 0.40
BCL6 P41182 1/20 0.36

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
SCHEMBL3480663 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3480861 0.84 CDK2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3480876 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2521300 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2528371 0.80 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2523660 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3480705 0.78 BCL6 (0.35) BCL6
SCHEMBL3480986 0.77 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3480704 0.76 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3480654 0.76 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 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-20100041680-A1 PIPERIDINE DERIVATIVES PSEN1, PSEN2, APBA1 PSEN1 1/4885PSEN2 2/4885APH1B 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.