SCHEMBL25855677

SCHEMBL25855677

Cc1ccc(N2C[C@H]3CCC[C@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 1/20 0.45
ADRB1 P08588 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR119 Q8TDV5 1/20 0.39
BPTF Q12830 1/20 0.38
HTR7 P34969 1/20 0.38
CCR1 P32246 4/20 0.38
CCR2 P41597 4/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15496950 0.89 GPR119 (0.48) LMNAALDH1A1AKR1C3ADRB1MEN1
SCHEMBL24824178 0.83 ADRB1 (0.47) AKR1C3ADRB1MEN1KMT2AGPR119
SCHEMBL81924 0.79 HRH4 (0.46) ADRB1
SCHEMBL22466087 0.79 MAPT (0.50) LMNAALDH1A1MEN1KMT2ABPTF
SCHEMBL17661012 0.79 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28956356 0.78 BPTF (0.66) ADRB1MEN1KMT2ABPTF
SCHEMBL20510583 0.78 BPTF (0.66) ADRB1MEN1KMT2ABPTF
SCHEMBL17665171 0.78 AKR1C3 (0.45) LMNAALDH1A1AKR1C3ADRB1MEN1
SCHEMBL20217192 0.76 AKR1C3 (0.44) ALDH1A1AKR1C3ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL30307836 0.76 BPTF (0.63) ADRB1MEN1KMT2ABPTF

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 LMNA 1394/4885ALDH1A1 2713/4885AKR1C3 3789/4885

“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.