SCHEMBL613191

SCHEMBL613191

COC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 9/20 0.48
LMNA P02545 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRPS1 P60891 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL614789 0.86 KDM4E (0.49) KDM4EIDO1LMNAMEN1KMT2A
SCHEMBL613546 0.85 KDM4E (0.67) KDM4EIDO1LMNAMEN1KMT2A
SCHEMBL614716 0.83 AVPR1A (0.51) KDM4EIDO1LMNAMEN1KMT2A
SCHEMBL4660003 0.82 KDM4E (0.48) KDM4EIDO1LMNAMEN1KMT2A
SCHEMBL2643515 0.81 IDO1 (0.50) KDM4EIDO1PRPS1HTT
SCHEMBL2643394 0.81 KDM4E (0.45) KDM4EIDO1LMNAMEN1KMT2A
SCHEMBL2643685 0.80 IDO1 (0.48) KDM4EIDO1PRPS1HTT
SCHEMBL615015 0.79 AVPR1A (0.55) KDM4EIDO1EPHX2
SCHEMBL2643415 0.79 IDO1 (0.47) KDM4EIDO1LMNAMTNR1AMTNR1B
SCHEMBL828230 0.77 MTNR1A (0.46) KDM4EIDO1MTNR1AMTNR1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR KDM4E 3161/4885GAA 4804/4885IDO1 65/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR KDM4E 3161/4885GAA 4804/4885IDO1 65/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR KDM4E 3161/4885GAA 4804/4885IDO1 65/4885

“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.