SCHEMBL25823724

SCHEMBL25823724

NCCN1CCC2(CC1)CNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
TSHR P16473 3/20 0.39
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
KEAP1 Q14145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30

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
SCHEMBL16231599 0.81 ALOX15 (0.60) ALOX15CYP2D6SIGMAR1ACE2KEAP1
SCHEMBL31213545 0.81 ALOX15 (0.48) ALOX15TSHRCYP3A4CYP2D6MEN1
SCHEMBL347104 0.78 TSHR (0.47) ALOX15TSHRHRH3CYP3A4CYP2D6
SCHEMBL24951690 0.77 ALOX15 (0.55) ALOX15CYP2D6SIGMAR1ACE2KEAP1
SCHEMBL29320463 0.75 TSHR (0.41) ALOX15TSHRCYP3A4CYP2D6SIGMAR1
SCHEMBL23921701 0.75 TSHR (0.44) TSHRSIGMAR1
SCHEMBL26391270 0.74 ALOX15 (0.50) ALOX15SIGMAR1ACE2KEAP1SMN1; SMN2
SCHEMBL14993202 0.74 ALOX15 (0.50) ALOX15CYP2D6SIGMAR1ACE2KEAP1
SCHEMBL24970676 0.74 S1PR1 (0.46) TSHRSIGMAR1
SCHEMBL13766677 0.74 TSHR (0.40) TSHRCYP2D6SMN1; SMN2

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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A ALOX15 3795/4885TSHR 659/4885HRH3 970/4885

“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.