SCHEMBL19965705

SCHEMBL19965705

CCCC(C)(C)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.45
CNR1 P21554 9/20 0.45
DRD3 P35462 1/20 0.43
PDE2A O00408 2/20 0.39
GPR183 P32249 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 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
SCHEMBL13566120 0.87 CNR2 (0.40) CNR2CNR1DRD3PDE2AGPR183
SCHEMBL18879812 0.81 CNR2 (0.38) CNR2CNR1DRD3PDE2AGPR183
SCHEMBL2662891 0.79 PDE2A (0.43) PDE2AGPR183CTNNB1WNT3A
SCHEMBL14446464 0.77 CNR2 (0.40) CNR2CNR1DRD3PDE2A
SCHEMBL18768656 0.76 PDE2A (0.41) PDE2AGPR183CTNNB1WNT3A
SCHEMBL25923323 0.74 GPR183 (0.32) CNR2CNR1DRD3PDE2AGPR183
SCHEMBL16237855 0.74 PDE2A (0.37) CNR2PDE2AGPR183CTNNB1WNT3A
SCHEMBL18649452 0.73 DRD3 (0.42) CNR2CNR1DRD3
SCHEMBL18649325 0.73 HPGD (0.44) CNR2CNR1DRD3CTNNB1
SCHEMBL16237862 0.73 CTNNB1 (0.45) PDE2AGPR183CTNNB1WNT3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (4 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-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI CNR2 3466/4885CNR1 2850/4885DRD3 3581/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI CNR2 3466/4885CNR1 2850/4885DRD3 3581/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CNR2 528/4885CNR1 864/4885DRD3 4143/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT CNR2 528/4885CNR1 864/4885DRD3 4143/4885

“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.