SCHEMBL22325001

SCHEMBL22325001

COc1ccc(C2CCN(c3cn[nH]c3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.45
▸ CHRNA4 P43681 4/20 0.45
▸ CHRNB4 P30926 2/20 0.45
▸ CHRNA3 P32297 2/20 0.45
▸ LCAT P04180 1/20 0.39
▸ OXTR P30559 3/20 0.38
▸ AVPR1A P37288 3/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR1F P30939 1/20 0.35

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
SCHEMBL22324940 0.84 TLR9 (0.41) TLR9
SCHEMBL22324868 0.83 DRD2 (0.49) GRM2
SCHEMBL22324798 0.80 SLC18A3 (0.41) —
SCHEMBL22324896 0.80 SLC18A3 (0.41) —
SCHEMBL22324847 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL22340524 0.77 GRM2 (0.35) TLR9GRM2
SCHEMBL22324860 0.77 DRD2 (0.44) —
SCHEMBL22324937 0.77 FAAH (0.42) GRM2
SCHEMBL167849 0.77 TRPV6 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TRPV6
SCHEMBL22340466 0.76 DHFR (0.46) —

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 CHRNB2 1365/4885CHRNA4 727/4885CHRNB4 574/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 CHRNB2 1365/4885CHRNA4 727/4885CHRNB4 574/4885

“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.

Send feedback