SCHEMBL1748174

SCHEMBL1748174

CC(Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 9/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.49
PDK2 Q15119 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HTR6 P50406 1/20 0.44
NAMPT P43490 1/20 0.44
SOS1 Q07889 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
KMT2A Q03164 1/20 0.42
P2RX7 Q99572 1/20 0.42
HPGD P15428 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
SCHEMBL1748154 0.89 SMN1; SMN2 (0.43) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL1748300 0.88 SOS1 (0.44) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL475541 0.82 SMN1; SMN2 (0.60) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL475608 0.82 SMN1; SMN2 (0.60) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL475393 0.82 SMN1; SMN2 (0.60) ALDH1A1MAPTHTTNPSR1KDM4E
Hydrochloric Acid SCHEMBL1748452 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTHTTNPSR1KDM4E
Hydrochloric Acid SCHEMBL1748959 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTHTTNPSR1KDM4E
Hydrochloric Acid SCHEMBL1748451 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL1748279 0.81 MAPT (0.78) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL5277473 0.81 HTR6 (0.58) ALDH1A1MAPTHTTNPSR1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ALDH1A1 1488/4885MAPT 4350/4885HTT 375/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ALDH1A1 1488/4885MAPT 4350/4885HTT 375/4885

“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.