SCHEMBL1748852

SCHEMBL1748852

COc1cc(OC)cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.64
ADRB1 P08588 3/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TGFBR1 P36897 1/20 0.41
RIPK2 O43353 4/20 0.40
ACVR1 Q04771 4/20 0.40
NOD2 Q9HC29 4/20 0.40
ALK Q9UM73 1/20 0.40
CNR1 P21554 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
SCHEMBL1748556 0.93 HTR6 (0.69) HTR6ADRB1HPGDSMN1; SMN2HTR3E
SCHEMBL12528587 0.85 HTR6 (0.58) HTR6HPGDSMN1; SMN2CNR1
SCHEMBL1747990 0.85 HTR6 (0.68) HTR6ADRB1HPGDSMN1; SMN2HTR3E
SCHEMBL475664 0.85 HPGD (0.65) HTR6HPGDSMN1; SMN2CNR1
Hydrochloric Acid SCHEMBL1748809 0.84 HTR6 (0.67) HTR6ADRB1HPGDSMN1; SMN2HTR3E
Hydrochloric Acid SCHEMBL1747995 0.84 HPGD (0.64) HTR6HPGDSMN1; SMN2CNR1
SCHEMBL1747996 0.84 HTR6 (0.75) HTR6HPGDSMN1; SMN2TGFBR1RIPK2
SCHEMBL12527143 0.82 HTR6 (0.64) HTR6ADRB1HPGDSMN1; SMN2HTR3E
SCHEMBL475389 0.80 SMN1; SMN2 (0.74) HTR6HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1748227 0.80 SMN1; SMN2 (0.73) HTR6HPGDSMN1; SMN2

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-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
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR6 1/4885ADRB1 54/4885HPGD 2326/4885

“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.