SCHEMBL30077992

SCHEMBL30077992

Cc1ccc(OCc2cccc3[nH]ncc23)c(C=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SCN9A Q15858 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
IDO1 P14902 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
METTL3 Q86U44 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NOS1 P29475 3/20 0.34
AXL P30530 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
BRD4 O60885 1/20 0.34
RET P07949 1/20 0.33

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
SCHEMBL15065952 1.00 DRD2 (0.38) DRD2DRD4DRD3RAF1BRAF
SCHEMBL30078078 0.78 HTR1A (0.43) DRD2DRD3PTGDR2
SCHEMBL15065796 0.78 HTR1A (0.43) DRD2DRD3PTGDR2
SCHEMBL18995882 0.77 PTGDR2 (0.35) PTGDR2BRD4
SCHEMBL15065432 0.76 MPO (0.37) CNR2PTGDR2
SCHEMBL30078048 0.76 MPO (0.37) CNR2PTGDR2
SCHEMBL15065583 0.76 RAF1 (0.48) DRD2DRD4DRD3RAF1BRAF
SCHEMBL30078033 0.73 RAF1 (0.46) DRD2DRD4DRD3RAF1BRAF
SCHEMBL15065804 0.73 RAF1 (0.46) DRD2DRD4DRD3RAF1BRAF
SCHEMBL21748411 0.73 PTGDR2 (0.39) PTGDR2

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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 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 (2 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB DRD2 4496/4885DRD4 3427/4885DRD3 4566/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB DRD2 4496/4885DRD4 3427/4885DRD3 4566/4885

“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.