SCHEMBL21267589

SCHEMBL21267589

CCc1ccc(C2CCC(NS(C)(=O)=O)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.43
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
OPRL1 P41146 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL23126972 0.83 OPRL1 (0.40) OPRL1
SCHEMBL24632526 0.82 HCRTR2 (0.43) HCRTR2TP53KMT2ATDP1DRD2
SCHEMBL25085618 0.79 HCRTR2 (0.41) HCRTR2TP53KMT2ATDP1PSEN1
SCHEMBL25085619 0.77 SMN1; SMN2 (0.45) KMT2ADRD2HTR2ADRD3OPRL1
SCHEMBL26923285 0.76 PANK3 (0.38) OPRL1
SCHEMBL11366020 0.75 NUDT1 (0.43) TP53MAPTOPRL1
SCHEMBL22502738 0.73 OPRL1 (0.45) OPRL1
SCHEMBL25085586 0.73 HTR6 (0.51)
SCHEMBL22860585 0.72 OPRL1 (0.46) DRD2HTR2AOPRL1
SCHEMBL8774094 0.71 PANK3 (0.38) OPRL1

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-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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 (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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 HCRTR2 3179/4885TP53 348/4885MAPT 3390/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HCRTR2 3695/4885TP53 178/4885MAPT 3156/4885

“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.