Sugi Predict

Sugi Predict / Compounds / SCHEMBL187797

SCHEMBL187797

SCHEMBL187797

NN1CCCC(c2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 6/20 0.47
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR2C P28335 7/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR2B P41595 5/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL12462449 1.00 RBP4 (0.47) RBP4GAATDP1HTR2CMEN1
SCHEMBL908977 0.83 AR (0.40) HTR2CHTR2BHTR2A
SCHEMBL3692014 0.83 GAA (0.44) RBP4GAATDP1HTR2CHTR2B
SCHEMBL7900103 0.83 GAA (0.44) RBP4GAATDP1HTR2CHTR2B
SCHEMBL908685 0.82 NTRK1 (0.42) RBP4
SCHEMBL909584 0.81 ALDH1A1 (0.45) GAAMEN1KMT2AMAPT
SCHEMBL908402 0.81 ALDH1A1 (0.44) GAAHTR2CHTR2BHTR2A
SCHEMBL909467 0.80 HCRTR1 (0.40) RBP4HTR2CMEN1KMT2AHTR2B
SCHEMBL909277 0.80 HCRTR2 (0.42) HTR2CHTR2BHTR2A
SCHEMBL909156 0.78 DDB1 (0.44) HTR2CMEN1KMT2AMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 — — US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 — — EP disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 — — EP disclosed
US-8703954-B2 Salt of tetrahydrotriazolopyridine derivative and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-22 — — US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 — — EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 — — EP disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
EP-2455380-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-23 — — EP disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 — — US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 — — US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 — — US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 — — WO disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 — — US disclosed
WO-2010098490-A1 SALT OF TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 — — WO disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 — — EP disclosed
WO-2010025197-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 — — WO disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 — — 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 (6 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-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS CYP4A11, CYP51A1, NISCH RBP4 3873/4885GAA 220/4885TDP1 4711/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 RBP4 2529/4885GAA 2325/4885TDP1 1168/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A RBP4 4460/4885GAA 599/4885TDP1 948/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 RBP4 1758/4885GAA 1935/4885TDP1 671/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 RBP4 3911/4885GAA 137/4885TDP1 1955/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 RBP4 2603/4885GAA 1552/4885TDP1 1560/4885

“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.