SCHEMBL5660242

SCHEMBL5660242

CC(C)(C)OC(=O)N1CCC(Cn2nnc(-c3ccc(C(c4ccc(OCc5ccccn5)cc4)C(C)(C)C)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.42
▸ PRMT5 O14744 2/20 0.40
▸ GPR119 Q8TDV5 8/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ BTK Q06187 1/20 0.38

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
SCHEMBL3922997 0.90 MEN1 (0.42) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL2246968 0.84 NPC1 (0.41) LMNA
SCHEMBL5660237 0.83 ALOX5 (0.36) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL13248366 0.82 NPSR1 (0.45) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL3922996 0.81 LTA4H (0.38) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL2995598 0.80 USP30 (0.47) YAP1GPR119ALDH1A1MAPTMEN1
SCHEMBL13248365 0.80 MEN1 (0.56) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL2245019 0.79 NPC1 (0.47) LMNAKMT2A
SCHEMBL2246935 0.78 NPC1 (0.39) LMNABTK
SCHEMBL2248325 0.78 NPC1 (0.39) LMNABTK

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-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — 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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B YAP1 4039/4885PRMT5 1410/4885GPR119 919/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B YAP1 4039/4885PRMT5 1410/4885GPR119 919/4885

“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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