SCHEMBL25855534

SCHEMBL25855534

COc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.40
POLB P06746 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL25855613 1.00 GAA (0.46) GAAL3MBTL1HRH3HTR3EHTR3B
SCHEMBL26326857 0.81 L3MBTL1 (0.42) L3MBTL1ADRB1POLBCHRNB2CHRNA4
SCHEMBL26326863 0.81 L3MBTL1 (0.42) L3MBTL1ADRB1POLBCHRNB2CHRNA4
SCHEMBL12879195 0.77 HRH3 (0.41) HRH3POLBCHRNB2CHRNA4ALDH1A1
SCHEMBL25191132 0.77 MAP3K12 (0.40) GAAL3MBTL1POLBCHRNB2CHRNA4
SCHEMBL20897480 0.77 ALDH1A1 (0.51) GAAALDH1A1KMT2A
SCHEMBL19001023 0.77 HSD11B1 (0.40) KMT2A
SCHEMBL20897529 0.73 ALDH1A1 (0.47) GAAALDH1A1
SCHEMBL3888344 0.72 GAA (0.56) GAAL3MBTL1HRH3HTR3EHTR3B
SCHEMBL22442324 0.72 MGLL (0.47) POLBALDH1A1KMT2A

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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP GAA 173/4885L3MBTL1 3433/4885HRH3 4546/4885

“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.