SCHEMBL6311319

SCHEMBL6311319

Cc1ccccc1C1C2=CNCC2CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
MAOB P27338 1/20 0.34
HSD11B1 P28845 1/20 0.33
DRD4 P21917 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HDAC4 P56524 1/20 0.32
MCHR1 Q99705 1/20 0.32
BRD4 O60885 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGA4 P13612 1/20 0.32
MAPT P10636 2/20 0.32
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
ALDH1A1 P00352 1/20 0.31
STAT3 P40763 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL6311313 0.82 BACE1 (0.35) GAAALDH1A1
SCHEMBL5746503 0.73 SCN4A (0.36) MAOBMAPT
SCHEMBL26116296 0.68 ITGB1 (0.40) HTR2CMAOBHSD11B1ITGB3ITGB1
SCHEMBL26117377 0.68 ITGB1 (0.40) HTR2CMAOBHSD11B1ITGB3ITGB1
SCHEMBL26116748 0.68 ITGB1 (0.40) HTR2CMAOBHSD11B1ITGB3ITGB1
SCHEMBL26117379 0.68 ITGB1 (0.40) HTR2CMAOBHSD11B1ITGB3ITGB1
SCHEMBL25363491 0.66 HTR2C (0.41) HTR2CMAOBHSD11B1DRD4GAA
SCHEMBL18284815 0.66 TAAR1 (0.44) HTR2CMAOB
SCHEMBL25366111 0.66 HTR2C (0.41) HTR2CMAOBHSD11B1DRD4GAA
SCHEMBL6311317 0.66 CHRNA4 (0.40) HTR2CMAOBBRD4

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 HTR2C 287/4885MAOB 1849/4885HSD11B1 2277/4885

“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.