SCHEMBL22324980

SCHEMBL22324980

Fc1ccccc1SC1CCN(c2cn[nH]c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.38
▸ SCD O00767 2/20 0.36
▸ KIT P10721 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ PLK4 O00444 1/20 0.30

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
SCHEMBL22324943 0.81 CARM1 (0.42) ROCK2
SCHEMBL22324881 0.79 HRH3 (0.37) ROCK2SCDHTR1AHTR7HTR2B
SCHEMBL22324773 0.77 ROCK2 (0.47) ROCK2
SCHEMBL22325030 0.76 DDB1 (0.33) —
SCHEMBL22324791 0.72 HRH4 (0.41) ROCK2HAO1HTR1AHTR7HTR2B
SCHEMBL13609521 0.72 GRIN1 (0.36) HAO1GRIN1GRIN2BHTR1AHTR7
SCHEMBL10662611 0.71 CARM1 (0.38) HTR1A
SCHEMBL22340466 0.71 DHFR (0.46) ROCK2GRIN2B
SCHEMBL22324884 0.69 MAPT (0.48) HTR1AHTR3A
SCHEMBL22324885 0.69 FFAR4 (0.46) ROCK2

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 ROCK2 580/4885SCD 155/4885KIT 2777/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ROCK2 580/4885SCD 155/4885KIT 2777/4885

“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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