SCHEMBL5050004

SCHEMBL5050004

CCCC(CCC)C(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KEAP1 Q14145 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CTSK P43235 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL22371932 0.92 CTSK (0.49) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL20306087 0.87 HDAC1 (0.54) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL19185882 0.85 HDAC1 (0.52) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5047571 0.83 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL13116466 0.83 TSHR (0.49) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL27890459 0.83 TSHR (0.49) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL28784111 0.79 TSHR (0.46) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3197028 0.78 TSHR (0.58) TSHRCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5179085 0.77 TSHR (0.53) TSHRCYP2D6CYP2C9CYP2C19RAB9A
Iodide SCHEMBL8700229 0.76 TSHR (0.49) TSHRCYP2D6CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 TSHR 286/4885CYP2D6 143/4885CYP2C9 305/4885

“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.