SCHEMBL22325019

SCHEMBL22325019

Fc1cc(C2CCNCC2)ccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
TLR8 Q9NR97 1/20 0.43
QDPR P09417 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LRRK2 Q5S007 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HTT P42858 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
SCHEMBL10162463 0.92 PDE3B (0.44) HPGDSMN1; SMN2NPC1TP53ALOX15
SCHEMBL19139501 0.77 SIGMAR1 (0.48) HPGDSMN1; SMN2NPC1TP53ALOX15
SCHEMBL22324888 0.77 PDE3B (0.40) HPGDSMN1; SMN2NPC1TP53ALOX15
SCHEMBL10163600 0.77 CYP2D6 (0.50) HPGDSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL6508129 0.76 NPC1 (0.40) HPGDSMN1; SMN2NPC1TP53ALOX15
SCHEMBL8257644 0.75 LGMN (0.50) HPGDSMN1; SMN2NPC1TP53ALOX15
SCHEMBL6508133 0.75 HTT (0.45) NPC1RAB9ALRRK2HTT
SCHEMBL1765234 0.73 QDPR (0.56) QDPRHTR6
SCHEMBL24506927 0.72 LRRK2 (0.56) LRRK2
SCHEMBL22324796 0.72 SIGMAR1 (0.45) NPC1RAB9AALDH1A1

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 HPGD 22/4885SMN1; SMN2 2585/4885NPC1 1402/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HPGD 22/4885SMN1; SMN2 2585/4885NPC1 1402/4885

“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.