SCHEMBL4675145

SCHEMBL4675145

O=[N+]([O-])C1CCCCN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
TERT O14746 1/20 0.37
SLC18A3 Q16572 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CRHBP P24387 1/20 0.34

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
SCHEMBL6600008 0.95 KMT2A (0.42) L3MBTL1NPSR1MAPTKMT2AMBTD1
SCHEMBL27859309 0.84 MAPK1 (0.40) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL27988097 0.77 CHRNB2 (0.42) MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL2297219 0.77 ALDH1A1 (0.40) L3MBTL1MAPTTERTSMN1; SMN2ALDH1A1
SCHEMBL1274939 0.77 ALDH1A1 (0.37) L3MBTL1NPSR1MAPTKMT2AMEN1
SCHEMBL2113970 0.74 SLC6A2 (0.50)
SCHEMBL6990383 0.74 LMNA (0.41) L3MBTL1NPSR1MAPTLMNA
SCHEMBL27960876 0.74 HPGD (0.39) L3MBTL1MAPTKMT2AL3MBTL3TERT
SCHEMBL28128613 0.74 FFAR1 (0.41) KMT2AMEN1ALDH1A1MCOLN3
SCHEMBL10558770 0.73 TERT (0.35) KMT2ATERTLMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
CN-1110685-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1995-10-25 CN disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
CN-1053613-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1991-08-07 CN disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R L3MBTL1 3514/4885NPSR1 20/4885MAPT 3346/4885

“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.