SCHEMBL22007129

SCHEMBL22007129

Sc1ccc(C2CCCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
NOTUM Q6P988 2/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABL1 P00519 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMO O15229 1/20 0.35
CHRNA7 P36544 1/20 0.34
MIF P14174 1/20 0.33
HDAC2 Q92769 1/20 0.32
ATR Q13535 1/20 0.32
CYP19A1 P11511 2/20 0.32
TDO2 P48775 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL2212335 0.90 NOTUM (0.43) L3MBTL1NOTUMTRPV4KMT2A
SCHEMBL171433 0.81 HRH4 (0.39) NOTUMTRPV4KMT2A
SCHEMBL13490681 0.77 MAP4K4 (0.51)
SCHEMBL15122187 0.76 L3MBTL1 (0.41) L3MBTL1NOTUMCYP11B2ABL1KDM4E
SCHEMBL21988073 0.76 L3MBTL1 (0.41) L3MBTL1NOTUMCYP11B2ABL1KDM4E
SCHEMBL30279708 0.76 L3MBTL1 (0.41) L3MBTL1NOTUMCYP11B2ABL1KDM4E
SCHEMBL15122188 0.76 PDE10A (0.48) L3MBTL1NOTUMCYP11B2ABL1PDE10A
SCHEMBL3143337 0.76 DEGS1 (0.47) L3MBTL1NOTUMCYP11B2ABL1KDM4E
SCHEMBL171140 0.74 HRH3 (0.36)
SCHEMBL23331881 0.73 CCR1 (0.48) L3MBTL1NOTUMPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 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 (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-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 L3MBTL1 4196/4885NOTUM 4362/4885TRPV4 4378/4885

“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.