SCHEMBL229653

SCHEMBL229653

CC(C)(C)OC(=O)N1CCC(F)(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RORC P51449 6/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC1 Q13547 1/20 0.47
S1PR2 O95136 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM1A O60341 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5940363 0.92 RORC (0.48) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL5705772 0.88 KMT2A (0.60) KMT2AMEN1HDAC1GPR119KDM1A
SCHEMBL15565611 0.88 KDM4E (0.50) KMT2AMEN1RORCGPR119
SCHEMBL5671917 0.87 HDAC2 (0.49) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL5705723 0.85 USP30 (0.46) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL4778727 0.84 RORC (0.51) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL13308359 0.84 MEN1 (0.45) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL3356494 0.83 JAK2 (0.46) KMT2AMEN1RORCHDAC2HDAC1
SCHEMBL5705741 0.83 KMT2A (0.47) KMT2AMEN1GPR119KDM1A
SCHEMBL21605904 0.82 USP30 (0.46) KMT2AMEN1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 US 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C KMT2A 856/4885MEN1 3878/4885RORC 3437/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C KMT2A 856/4885MEN1 3878/4885RORC 3437/4885
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 KMT2A 2779/4885MEN1 2011/4885RORC 3127/4885

“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.