SCHEMBL161045

SCHEMBL161045

CC(C)COc1c[c]cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 3/20 0.33
PDK2 Q15119 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
XBP1 P17861 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLA2G7 Q13093 1/20 0.32
LMNA P02545 2/20 0.31
CTSA P10619 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL13647258 0.79 FFAR4 (0.44) POLBFFAR4MAOAMAOBALDH1A1
SCHEMBL16960132 0.78 ALDH1A1 (0.34) POLBCYP3A4CYP2D6NPSR1MAOA
SCHEMBL16956280 0.78 ALDH1A1 (0.42) POLBMAOAMAOBALDH1A1GAA
SCHEMBL16960727 0.78 NQO1 (0.39) POLBCYP3A4NPSR1ALDH1A1GAA
SCHEMBL16951169 0.78 KDM1A (0.36) POLBMAOAMAOBALDH1A1GAA
SCHEMBL457601 0.78 NQO1 (0.42) CYP3A4CYP2D6MAOBALDH1A1GAA
SCHEMBL3716123 0.77 ALDH1A1 (0.33) POLBCYP3A4CYP2D6NPSR1MAOA
SCHEMBL4823568 0.77 RARA (0.39) POLBCYP3A4CYP2D6NPSR1MAOA
SCHEMBL16960227 0.77 MAPT (0.36) POLBALDH1A1PDK2GAAMAPT
SCHEMBL16954386 0.77 MAPT (0.37) POLBCYP3A4CYP2D6NPSR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 US disclosed
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 US disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 US disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
CN-102083432-A Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI AVENTIS 2011-06-01 CN 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 (10 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-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG POLB 4747/4885CYP3A4 4152/4885CYP2D6 2865/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 POLB 2930/4885CYP3A4 2444/4885CYP2D6 1847/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 POLB 1931/4885CYP3A4 1137/4885CYP2D6 818/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 POLB 2930/4885CYP3A4 2444/4885CYP2D6 1847/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 POLB 1931/4885CYP3A4 1137/4885CYP2D6 818/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 POLB 1931/4885CYP3A4 1137/4885CYP2D6 818/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 POLB 1931/4885CYP3A4 1137/4885CYP2D6 818/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 POLB 2930/4885CYP3A4 2444/4885CYP2D6 1847/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG POLB 4747/4885CYP3A4 4152/4885CYP2D6 2865/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 POLB 2930/4885CYP3A4 2444/4885CYP2D6 1847/4885

“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.