SCHEMBL6628057

SCHEMBL6628057

CC1CN(C)CCC1CO

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
GBA1 P04062 8/20 0.36
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32

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
SCHEMBL10044405 1.00 NCF1 (0.37) NCF1GBA1GAAMGAM
SCHEMBL10044406 1.00 NCF1 (0.37) NCF1GBA1GAAMGAM
SCHEMBL12536103 1.00 NCF1 (0.37) NCF1GBA1GAAMGAM
SCHEMBL24789560 1.00 NCF1 (0.37) NCF1GBA1GAAMGAM
SCHEMBL22183582 0.84 NCF1 (0.38) NCF1GBA1
SCHEMBL16838125 0.83 BRD4 (0.35) NCF1GBA1
SCHEMBL15691793 0.83 NCF1 (0.37) NCF1GBA1
SCHEMBL7990665 0.83 NCF1 (0.37) NCF1GBA1
SCHEMBL12536056 0.82 NCF1 (0.39) NCF1GBA1GAAMGAM
SCHEMBL12536133 0.82 NCF1 (0.39) NCF1GBA1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 US disclosed
US-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 US disclosed
US-7205410-B2 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A 2007-02-15 US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 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 (2 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-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders HRH2, HRH4, GIPR NCF1 3439/4885GBA1 905/4885GAA 1786/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 NCF1 930/4885GBA1 75/4885GAA 358/4885

“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.