SCHEMBL22324909

SCHEMBL22324909

COc1cccc(CC2CCN(c3cn[nH]c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ ROCK2 O75116 4/20 0.55
▸ EED O75530 2/20 0.50
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL22324866 0.86 HRH4 (0.55) HRH4HRH3
SCHEMBL22324767 0.85 MAPT (0.42) HTR1AROCK2HRH3KDM4E
SCHEMBL22324836 0.83 SMN1; SMN2 (0.50) SLC6A4ROCK2HRH3
SCHEMBL22324779 0.83 MAPT (0.51) SLC6A4ATMKDM4EGAA
SCHEMBL22340525 0.81 HTR2C (0.53) HTR1AROCK2
SCHEMBL22324835 0.80 LOX (0.42) ROCK2HRH4HRH3
SCHEMBL22324804 0.79 LMNA (0.44) HRH4HRH3
SCHEMBL14421472 0.78 HTR1A (0.71) HTR1ASLC6A4EEDHRH3
SCHEMBL22340539 0.78 ROCK2 (0.42) HTR1AROCK2
SCHEMBL27730804 0.77 EED (0.66) HTR1ASLC6A4EED

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 3 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
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 HTR1A 408/4885SLC6A4 452/4885ROCK2 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.

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