SCHEMBL6493780

SCHEMBL6493780

CC(C(N)=O)(c1ccccc1)C1CCNCC1c1ccccc1.O=C(O)C1CCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
TACR1 P25103 3/20 0.34
CRBN Q96SW2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL5161360 0.85 MAPT (0.46) MAPTPKMTACR1
SCHEMBL5158964 0.74 MAPT (0.39) MAPTPKMTACR1
SCHEMBL5158315 0.74 NPC1 (0.42) MAPTPKMTACR1SMN1; SMN2LMNA
SCHEMBL6481099 0.74 MAPT (0.42) MAPTPKMTACR1
SCHEMBL6493783 0.72 GRM7 (0.42)
SCHEMBL2796237 0.71 HTT (0.54) SMN1; SMN2ALDH1A1HTT
SCHEMBL29484110 0.71 HTT (0.54) SMN1; SMN2ALDH1A1HTT
SCHEMBL29706163 0.71 HTT (0.54) SMN1; SMN2ALDH1A1HTT
SCHEMBL2792830 0.71 HTT (0.54) SMN1; SMN2ALDH1A1HTT
SCHEMBL242244 0.71 HTT (0.54) SMN1; SMN2ALDH1A1HTT

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed

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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 MAPK1 1698/4885MAPK14 1765/4885MAPT 2851/4885

“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.