SCHEMBL29616770

SCHEMBL29616770

O=C(O)N1CCCC1Oc1ccc(Br)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DGAT1 O75907 1/20 0.34
DPP4 P27487 2/20 0.34
CYP4A11 Q02928 2/20 0.34
LMNA P02545 1/20 0.34
CYP4F2 P78329 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL31098097 0.83 UCHL1 (0.44) CHRNB2CHRNA4MCHR1ALDH1A1LMNA
SCHEMBL5010541 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DPP4
SCHEMBL19023355 0.76 CYP4F2 (0.47) CHRNB2CHRNA4ALDH1A1CYP4A11CYP4F2
SCHEMBL31298312 0.75 MCHR1 (0.41) CHRNB2CHRNA4MCHR1ALDH1A1
SCHEMBL3658276 0.72 CYP4A11 (0.38) CHRNB2CHRNA4CYP4A11CYP4F2SCD
SCHEMBL16828675 0.71 IRAK4 (0.34) CHRNB2CHRNA4ALDH1A1
SCHEMBL2656329 0.69 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1
SCHEMBL4095836 0.69 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL16758032 0.68 CHRNB2 (0.51) CHRNB2CHRNA4CYP4A11CYP4F2
SCHEMBL22663477 0.68 CHRNB2 (0.45) CHRNB2CHRNA4MCHR1CYP4A11CYP4F2

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
EP-3891149-B1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-01-28 EP disclosed
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-05-05 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-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, REL, SLC10A2 CHRNB2 973/4885CHRNA4 2055/4885MCHR1 452/4885

“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.