SCHEMBL22324894

SCHEMBL22324894

O=C1CCCN1c1ccc(C2CCNCC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HTR6 P50406 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A2 P23975 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
SCHEMBL25176099 0.81 CRBN (0.49) HTR6MAOASLC6A2SLC6A4SLC6A3
SCHEMBL30376327 0.81 CRBN (0.49) HTR6MAOASLC6A2SLC6A4SLC6A3
SCHEMBL5660347 0.79 HTR6 (0.62) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL22324814 0.79 ROCK2 (0.40) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL7674995 0.78 SMN1; SMN2 (0.54) ALDH1A1HPGDHTR6NPC1SMN1; SMN2
SCHEMBL22324855 0.77 L3MBTL1 (0.43) CYP2C9CYP1A2HTR6TP53SLC6A2
SCHEMBL8257562 0.76 HTR6 (0.53) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL16542450 0.76 ALDH1A1 (0.53) ALDH1A1HPGDCYP2C19CYP3A4CYP2C9
SCHEMBL22542128 0.74 HTR2C (0.43) ALDH1A1CYP2C19CYP3A4CYP2C9HTR6
SCHEMBL10162441 0.74 SMN1; SMN2 (0.50) ALDH1A1HPGDNPC1SMN1; SMN2RAB9A

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 ALDH1A1 545/4885HPGD 22/4885CYP2C19 15/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885HPGD 22/4885CYP2C19 15/4885

“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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