SCHEMBL3024372

SCHEMBL3024372

CC(=O)NCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OCCN3CCCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.55
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NQO2 P16083 1/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL18222500 0.86 HTR6 (0.52) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL3017284 0.83 HTR6 (0.68) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL7017328 0.81 HTR6 (0.63) HTR6MTNR1AMTNR1BPPARGPPARD
SCHEMBL18222528 0.79 HTR6 (0.49) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL3012635 0.78 HTR6 (0.55) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL7018452 0.76 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL29169606 0.75 HTR6 (0.67) HTR6
SCHEMBL7024537 0.75 HTR6 (0.77) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL18222505 0.74 HTR6 (0.43) HTR6MTNR1AMTNR1BNQO2PPARG
SCHEMBL18222527 0.74 HTR6 (0.50) HTR6MTNR1AMTNR1BNQO2PPARG

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-20100204276-A1 INDOLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-08-12 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-20100204276-A1 INDOLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MTNR1A, MTNR1B, IDO1 HTR6 16/4885MTNR1A 1/4885MTNR1B 2/4885

“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.