SCHEMBL475664

SCHEMBL475664

CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HTR6 P50406 11/20 0.60
ALDH1A1 P00352 7/20 0.53
MAPT P10636 7/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.48
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.45

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
Hydrochloric Acid SCHEMBL1747995 0.99 HPGD (0.64) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL20242670 0.90 HTR6 (0.57) HPGDSMN1; SMN2HTR6MAPTMAPK1
SCHEMBL12528587 0.87 HTR6 (0.58) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL1747990 0.87 HTR6 (0.68) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1748809 0.86 HTR6 (0.67) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL20242549 0.86 HTR6 (0.53) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL5021118 0.86 HTR6 (0.53) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL1748852 0.85 HTR6 (0.64) HPGDSMN1; SMN2HTR6CNR1
SCHEMBL12527143 0.83 HTR6 (0.64) HPGDSMN1; SMN2HTR6ALDH1A1MAPT
SCHEMBL1748556 0.81 HTR6 (0.69) HPGDSMN1; SMN2HTR6CNR1

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 13 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 claimed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US claimed
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
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
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 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 (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 HPGD 1316/4885SMN1; SMN2 2720/4885HTR6 1/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HPGD 2326/4885SMN1; SMN2 3858/4885HTR6 1/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HPGD 2326/4885SMN1; SMN2 3858/4885HTR6 1/4885

“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.