SCHEMBL22340239

SCHEMBL22340239

Cc1ccc(C2CCN(c3ccn[nH]3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SLC18A3 Q16572 1/20 0.42
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.36
FASN P49327 1/20 0.36
PROKR1 Q8TCW9 4/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL22325007 0.85 DRD2 (0.45) SLC18A3DRD2DRD4DRD3MAPT
SCHEMBL22325008 0.85 ALDH1A1 (0.44) ALDH1A1DRD2DRD3SMN1; SMN2AOC3
SCHEMBL22324979 0.84 DHFR (0.43) SLC18A3DRD2SMN1; SMN2
SCHEMBL22324910 0.84 DRD2 (0.49) ALDH1A1DRD2DRD4DRD3MAPT
SCHEMBL22324936 0.83 HTR2C (0.50) DRD2DRD4DRD3AOC3PROKR1
SCHEMBL22325050 0.81 GRM2 (0.35) ALDH1A1DRD2DRD4DRD3AOC3
SCHEMBL22340272 0.81 DRD2 (0.34) DRD2DRD3FASNHTR1A
SCHEMBL22324833 0.80 RORC (0.39) ALDH1A1DRD2SMN1; SMN2HTTLMNA
SCHEMBL22324788 0.79 SLC18A3 (0.48) ALDH1A1SLC18A3MAPTLMNA
SCHEMBL22324841 0.79 SLC18A3 (0.53) ALDH1A1SLC18A3MAPTSMN1; SMN2RAB9A

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 ALDH1A1 545/4885SLC18A3 919/4885DRD2 2470/4885

“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.