SCHEMBL22340466

SCHEMBL22340466

c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
IP6K1 Q92551 1/20 0.45
ROCK2 O75116 3/20 0.44
HSD11B1 P28845 1/20 0.42
SLC18A3 Q16572 3/20 0.41
MLYCD O95822 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
GRIN2B Q13224 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
C1S P09871 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22324896 0.85 SLC18A3 (0.41) ROCK2HSD11B1SLC18A3DRD2DRD4
SCHEMBL22324860 0.85 DRD2 (0.44) SLC18A3DRD2DRD3SIGMAR1
SCHEMBL22324798 0.85 SLC18A3 (0.41) DHFRIP6K1ROCK2HSD11B1SLC18A3
SCHEMBL22324937 0.85 FAAH (0.42) ROCK2MLYCDDRD2DRD3
SCHEMBL22324795 0.83 TRPV6 (0.50) DHFRROCK2DRD2DRD4DRD3
SCHEMBL22324803 0.83 ROCK2 (0.49) ROCK2MLYCD
SCHEMBL22324762 0.83 NR3C1 (0.43) HSD11B1DRD2DRD4DRD3SIGMAR1
SCHEMBL22324845 0.82 GRM2 (0.44) MAPT
SCHEMBL22324868 0.82 DRD2 (0.49) DRD2SIGMAR1MAPT
SCHEMBL22324884 0.80 MAPT (0.48) DHFRDRD2DRD4DRD3SIGMAR1

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-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 DHFR 436/4885IP6K1 2171/4885ROCK2 580/4885

“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.