SCHEMBL4464253

SCHEMBL4464253

CC(C)n1ccn(CCCl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL14516273 0.82 PDE4A (0.36) ADORA2B
SCHEMBL13483449 0.78 TLR8 (0.42) ADORA2BMAPT
SCHEMBL10072552 0.78 GSK3A (0.34) ADORA2BMAPT
SCHEMBL25045667 0.76 BRD4 (0.36) ADORA2B
SCHEMBL26454678 0.76 — —
SCHEMBL12128675 0.73 ADORA2B (0.31) ADORA2B
SCHEMBL14600369 0.73 KMT2A (0.45) ADORA2BMAPT
SCHEMBL6736338 0.70 LPO (0.32) ADORA2B
SCHEMBL6778160 0.68 MAPK8 (0.37) —
SCHEMBL25593649 0.64 — —

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
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 — — US disclosed
EP-1638959-B1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 — — EP disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 — — US disclosed
US-6800628-B2 SUCH AS (1-(2-((3-METHYL-2-PYRAZINYL)AMINO)ETHYL)-4-PIPERIDINYL)-METHYL-4-AMINO-5 -CHLORO-2,3-DIHYDRO-7-BENZOFURANCARBOXYLATE JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-05 — — US disclosed
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties BOSMANS JEAN-PAUL RENE MARIE (BE) 2003-08-14 — — US disclosed
EP-0885190-B1 N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2003-05-07 — — EP disclosed
US-6509339-B2 Gastrointestinal disorders; cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-21 — — US disclosed
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE (BE) 2002-04-11 — — US disclosed
US-6291481-B1 CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTRIC EMPTYING AND MORE GENERALLY TO TREAT CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTROINTESTINAL TRANSIT. JANSSEN PHARMACEUTICA, N.V. (BE) 2001-09-18 — — US disclosed
EP-0885190-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-23 — — EP disclosed
WO-1997031897-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-04 — — 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 (3 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-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives CBR1, ALK, ESRRA ADORA2B 542/4885MAPT 4859/4885
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides HTR4, HTR2B, TPH2 ADORA2B 57/4885MAPT 3488/4885
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties GIPR, CRHR1, GRPR ADORA2B 261/4885MAPT 4858/4885

“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.

Send feedback