SCHEMBL828230

SCHEMBL828230

CC(C)(C)OC(=O)NCCn1cc(C(=O)C(F)(F)F)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
IDO1 P14902 6/20 0.45
DRD2 P14416 5/20 0.44
BRD4 O60885 1/20 0.42
PRPS1 P60891 1/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL829158 0.81 IDO1 (0.44) MTNR1AMTNR1BIDO1PRPS1HTT
SCHEMBL2643515 0.80 IDO1 (0.50) IDO1PRPS1HTTKDM4E
SCHEMBL2643685 0.78 IDO1 (0.48) IDO1PRPS1HTTKDM4E
SCHEMBL2643415 0.77 IDO1 (0.47) MTNR1AMTNR1BIDO1PRPS1HTT
SCHEMBL613191 0.77 KDM4E (0.49) MTNR1AMTNR1BIDO1PRPS1HTT
SCHEMBL3191408 0.76 HTT (0.42) IDO1HTTKDM4EALDH1A1MEN1
SCHEMBL614789 0.75 KDM4E (0.49) IDO1HTTKDM4EMEN1KMT2A
SCHEMBL7671707 0.75 KMO (0.54) MTNR1AMTNR1BIDO1DRD2BRD4
SCHEMBL2643394 0.74 KDM4E (0.45) IDO1HTTKDM4EMEN1KMT2A
SCHEMBL829476 0.74 CPT1A (0.41) PRPS1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
WO-2011132443-A1 SURFACE ACOUSTIC WAVE DEVICE AND MANUFACTURING METHOD OF SAME 株式会社村田製作所 (JP) 2011-10-27 WO disclosed
US-20080167344-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 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-20080161315-A1 INDOLES AVPR1A, HTR1A, AVPR1B MTNR1A 85/4885MTNR1B 221/4885IDO1 17/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B MTNR1A 85/4885MTNR1B 221/4885IDO1 17/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B MTNR1A 85/4885MTNR1B 221/4885IDO1 17/4885

“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.