SCHEMBL22324845

SCHEMBL22324845

c1cc(N2CCOCC2)ccc1C1CCN(c2cn[nH]c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
BMPR1B O00238 1/20 0.42
KDR P35968 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
TGFBR2 P37173 1/20 0.42
ACVR1 Q04771 1/20 0.42
BMPR2 Q13873 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
FAAH O00519 2/20 0.41
SLC6A3 Q01959 1/20 0.40
MAPKAPK5 Q8IW41 2/20 0.39
AOC3 Q16853 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL22325002 0.86 HRH3 (0.46) GRM2MEN1KMT2ASMN1; SMN2
SCHEMBL22324976 0.85 F10 (0.44) GRM2
SCHEMBL22340620 0.85 ALDH1A1 (0.36) GRM2MAPTALDH1A1
SCHEMBL22324888 0.84 PDE3B (0.40) GRM2FAAHALDH1A1HTTNPC1
SCHEMBL20029214 0.83 BMPR1B (0.46) BMPR1BKDRBMPR1AACVR1BTGFBR1
SCHEMBL22324798 0.83 SLC18A3 (0.41) MAPTMEN1ALDH1A1KMT2AHTT
SCHEMBL22324896 0.83 SLC18A3 (0.41) TGFBR1ACVR1AOC3ALDH1A1HTT
SCHEMBL22324937 0.83 FAAH (0.42) GRM2FAAHAOC3ALDH1A1
SCHEMBL22324860 0.83 DRD2 (0.44) AOC3MEN1KMT2AMMP2MMP9
SCHEMBL22324846 0.83 FAAH (0.47) TGFBR1ACVR1FAAHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
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
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 (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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 GRM2 1795/4885BMPR1B 4675/4885KDR 746/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 GRM2 1795/4885BMPR1B 4675/4885KDR 746/4885

“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.