SCHEMBL5790945

SCHEMBL5790945

CC[C@H]1CNc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AR P10275 4/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ HTR2A P28223 5/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35

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
SCHEMBL5790950 1.00 MEN1 (0.41) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL9064740 0.76 AR (0.50) ARHTR2AHTR2CHTR2B
SCHEMBL30738393 0.75 AR (0.52) ARHTR2AHTR2CHTR2BKIF11
SCHEMBL27654170 0.75 AR (0.52) ARHTR2AHTR2CHTR2BKIF11
SCHEMBL1735450 0.74 AR (0.43) KMT2AARHTR2AHTR2CHTR2B
SCHEMBL17026953 0.74 AR (0.48) GAAARBRD4CREBBPKIF11
SCHEMBL1735446 0.74 AR (0.43) KMT2AARHTR2AHTR2CHTR2B
SCHEMBL12057414 0.74 AR (0.52) MEN1GAAMAPTKMT2AKDM4E
SCHEMBL12156896 0.74 AR (0.38) KMT2AARCA1CA2BRD4
SCHEMBL31193465 0.74 AR (0.43) KMT2AARHTR2AHTR2CHTR2B

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
WO-2006009819-A1 INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTIEN ARRAY BIOPHARMA INC. (US) 2006-01-26 — — WO disclosed
US-20050282812-A1 Inhibitors of cholesteryl ester transfer protein ARRAY BIOPHARMA INC. 2005-12-22 — — 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-20050282812-A1 Inhibitors of cholesteryl ester transfer protein CETP, LCAT, MTTP MEN1 4456/4885GAA 317/4885MAPT 2183/4885

“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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