SCHEMBL31059752

SCHEMBL31059752

C#C[C@H](C)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 5/20 0.40
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL28499564 1.00 MAOB (0.43) MAOBTSHRCYP1A2CYP2D6CYP3A4
SCHEMBL28499565 1.00 MAOB (0.43) MAOBTSHRCYP1A2CYP2D6CYP3A4
SCHEMBL26643465 0.84 TSHR (0.45) MAOBTSHRCYP1A2CYP2D6CYP3A4
SCHEMBL4782196 0.80 MAOB (0.43) MAOBTSHRCYP1A2CYP2D6IDO1
SCHEMBL6239307 0.80 SLC1A3 (0.43) TSHRCYP1A2CYP2D6IDO1SLC1A3
SCHEMBL6141169 0.80 SLC1A3 (0.43) TSHRCYP1A2CYP2D6IDO1SLC1A3
SCHEMBL4730931 0.80 MAOB (0.43) MAOBTSHRCYP1A2CYP2D6IDO1
SCHEMBL27097973 0.79 IDO1 (0.48) MAOBIDO1AGXT
SCHEMBL4165179 0.77 CYP1A2 (0.43) MAOBTSHRCYP1A2CYP2D6CYP3A4
SCHEMBL4165175 0.77 CYP1A2 (0.43) MAOBTSHRCYP1A2CYP2D6CYP3A4

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-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 WO 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-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 MAOB 3083/4885TSHR 3646/4885CYP1A2 3652/4885

“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.