SCHEMBL5021091

SCHEMBL5021091

CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cc(Cl)ccc1CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.65
SOS1 Q07889 1/20 0.42
DDR1 Q08345 3/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL475383 0.84 HTR6 (0.80) HTR6SOS1HPGDSMN1; SMN2HTR3E
Hydrochloric Acid SCHEMBL1748287 0.83 HTR6 (0.79) HTR6SOS1HPGDSMN1; SMN2HTR3E
SCHEMBL5021125 0.83 HTR6 (0.78) HTR6SOS1HPGDSMN1; SMN2HTR1A
SCHEMBL1747990 0.82 HTR6 (0.68) HTR6SOS1HPGDSMN1; SMN2HTR3E
Hydrochloric Acid SCHEMBL1748809 0.81 HTR6 (0.67) HTR6SOS1HPGDSMN1; SMN2HTR3E
SCHEMBL1748289 0.81 HTR6 (0.67) HTR6SOS1HPGDSMN1; SMN2HTR3E
Hydrochloric Acid SCHEMBL1748811 0.80 HTR6 (0.66) HTR6SOS1HPGDSMN1; SMN2HTR3E
SCHEMBL5021092 0.79 CCR2 (0.47) HTR6ADRA2CADRA1DADRA1AADRA1B
SCHEMBL12527143 0.79 HTR6 (0.64) HTR6SOS1HPGDSMN1; SMN2HTR3E
SCHEMBL475397 0.79 HTR6 (1.00) HTR6SOS1HPGDSMN1; SMN2HTR1A

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 1 patent. 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

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 1/4885SOS1 3087/4885DDR1 3714/4885

“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.