SCHEMBL475541

SCHEMBL475541

C[C@@H](Nc1cc(N2CCNCC2)ccc1C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 11/20 0.48
MAPT P10636 9/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RECQL P46063 1/20 0.47
HTR6 P50406 6/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 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
SCHEMBL475393 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL475608 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HPGDALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL1748451 0.99 SMN1; SMN2 (0.59) SMN1; SMN2HPGDALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL1748452 0.99 SMN1; SMN2 (0.59) SMN1; SMN2HPGDALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL1748959 0.99 SMN1; SMN2 (0.59) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL475388 0.88 HPGD (0.46) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL475613 0.88 ADRB1 (0.48) SMN1; SMN2HPGDHTTHTR6LMNA
Hydrochloric Acid SCHEMBL1748277 0.87 HPGD (0.46) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL475547 0.86 HPGD (0.45) SMN1; SMN2HPGDHTR6CNR1CTSL
SCHEMBL475403 0.86 ADRB1 (0.45) SMN1; SMN2HPGDHTR6CNR1

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
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP claimed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
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
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS HTR6, HTR3B, HTR1B SMN1; SMN2 2720/4885HPGD 1316/4885ALDH1A1 1502/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HPGD 2326/4885ALDH1A1 1488/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HPGD 2326/4885ALDH1A1 1488/4885

“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.