SCHEMBL3339129

SCHEMBL3339129

CCOC(=O)C1CC(=O)CCN1c1ccc(F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
HTR7 P34969 9/20 0.41
TACR1 P25103 1/20 0.39
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 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
SCHEMBL3343807 0.84 HTR7 (0.41) HTR7TACR1ADAMTS5
SCHEMBL5408982 0.80 TACR1 (0.57) ALDH1A1TDP1MAPTHTR7TACR1
SCHEMBL5390992 0.78 MAPT (0.44) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL13302135 0.76 NPC1 (0.46) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL3341938 0.75 ALDH1A1 (0.42) ALDH1A1TDP1MAPTHTR7PKM
SCHEMBL3436603 0.75 ALDH1A1 (0.60) ALDH1A1TDP1MAPTPKMATM
SCHEMBL3648193 0.75 L3MBTL1 (0.48) ALDH1A1TDP1ATMTSHRMEN1
SCHEMBL6687029 0.74 TACR1 (0.49) TACR1CYP2D6
SCHEMBL3652600 0.72 ALDH1A1 (0.48) ALDH1A1MAPTPKMTSHRMEN1
SCHEMBL6687026 0.72 TACR1 (0.60) TACR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7652012-B2 Orvepitant maleate; potent and specific antagonists of tachykinins, including substance P and other neurokinins; anxioltic and antidepressant GLAXO GROUP LIMITED (GB) 2010-01-26 US disclosed
US-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 US disclosed
EP-1666465-B1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LTD (GB) 2008-05-07 EP disclosed
CN-1319973-C Piperidine derivatives GLAXO GROUP LTD (GB) 2007-06-06 CN disclosed
US-20070099914-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2007-05-03 US disclosed
US-7189713-B2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 2007-03-13 US disclosed
EP-1666465-A1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
EP-1472256-B1 PIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-11-02 EP disclosed
US-20050176715-A1 Piperidine derivatives NERRE THERAPEUTICS LIMITED (GB) 2005-08-11 US disclosed
US-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases GLAXO GROUP LIMITED (GB) 2005-08-04 US disclosed
CN-1628115-A Piperidine derivatives GLAXO GROUP LTD (GB) 2005-06-15 CN disclosed
EP-1472256-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
WO-2003066635-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-14 WO 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 (4 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-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases NPSR1, NPY1R, NPY2R ALDH1A1 2635/4885TDP1 4295/4885MAPT 2288/4885
US-20070099914-A1 Piperidine Derivatives PTGES2, NFKBIA, PTGS2 ALDH1A1 332/4885TDP1 3255/4885MAPT 2632/4885
US-20050176715-A1 Piperidine derivatives NPSR1, NPY5R, SSTR5 ALDH1A1 4031/4885TDP1 4792/4885MAPT 4585/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R ALDH1A1 3922/4885TDP1 4779/4885MAPT 4616/4885

“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.