SCHEMBL5021118

SCHEMBL5021118

CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.53
ALDH1A1 P00352 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
CNR1 P21554 1/20 0.45
KMT2A Q03164 2/20 0.41
SOS1 Q07889 4/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 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
SCHEMBL475664 0.86 HPGD (0.65) HTR6ALDH1A1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1747995 0.85 HPGD (0.64) HTR6ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1748150 0.80 HTR6 (0.56) HTR6ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL12528587 0.80 HTR6 (0.58) HTR6ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1747990 0.80 HTR6 (0.68) HTR6ALDH1A1HTR3EHTR3BHTR2C
Hydrochloric Acid SCHEMBL1748809 0.79 HTR6 (0.67) HTR6ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL20242670 0.78 HTR6 (0.57) HTR6HPGDSMN1; SMN2MAPT
SCHEMBL1748852 0.78 HTR6 (0.64) HTR6HTR3EHTR3BHTR1DHTR3A
SCHEMBL12527143 0.77 HTR6 (0.64) HTR6ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL20242549 0.75 HTR6 (0.53) HTR6ALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ALDH1A1 1488/4885HTR3E 13/4885

“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.