SCHEMBL22679339

SCHEMBL22679339

Cc1ncc(O)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 3/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
GABRA1 P14867 6/20 0.35
GABRB1 P18505 4/20 0.35
GABRB2 P47870 4/20 0.35
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 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
SCHEMBL2738314 0.77 CCR1 (0.38) CA1CA2LMNASLC6A2HTR2B
SCHEMBL27387669 0.77 GABRA1 (0.43) CA1CA2LMNASLC6A2HTR2B
SCHEMBL12848879 0.76 GABRA1 (0.39) CA1CA2LMNASLC6A2HTR2B
SCHEMBL12190545 0.74 AGBL2 (0.34) VRK1RPS6KA3
SCHEMBL19958438 0.74 GABRA1 (0.45) LMNAGABRA1GABRB1HPGDTSHR
SCHEMBL24807960 0.74
SCHEMBL25053870 0.74
SCHEMBL12512790 0.74 GABRA1 (0.45) LMNAGABRA1GABRB1
SCHEMBL22959247 0.74 PIK3R1 (0.35) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL29527128 0.74 PIK3R1 (0.35) CA1CA2GABRA1GABRB1GABRB2

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-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2021-04-13 US disclosed
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2020-11-19 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-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 CA1 881/4885CA2 1128/4885LMNA 2964/4885
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 CA1 876/4885CA2 1143/4885LMNA 3080/4885

“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.