SCHEMBL22324843

SCHEMBL22324843

c1cnc(C2CCN(c3cn[nH]c3)CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.37
▸ ROCK2 O75116 4/20 0.35
▸ CHRM4 P08173 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ LCAT P04180 2/20 0.31
▸ BCHE P06276 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AVPR1A P37288 1/20 0.31

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
SCHEMBL22340466 0.78 DHFR (0.46) ROCK2MLYCDHSD11B1MAPT
SCHEMBL22325030 0.78 DDB1 (0.33) ACVR1
SCHEMBL22324920 0.77 MAPT (0.55) KDM4ELMNAMAPT
SCHEMBL22324932 0.77 HTR2C (0.46) GRM2MAPT
SCHEMBL22324773 0.74 ROCK2 (0.47) GRM2ROCK2
SCHEMBL22324937 0.73 FAAH (0.42) GRM2ROCK2MLYCD
SCHEMBL22324798 0.73 SLC18A3 (0.41) ROCK2HSD11B1KDM4ELMNAMAPT
SCHEMBL22324896 0.73 SLC18A3 (0.41) ROCK2ACVR1HSD11B1LMNA
SCHEMBL22324860 0.73 DRD2 (0.44) —
SCHEMBL27460728 0.72 CHRNB2 (0.31) ACVR1

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 GRM2 1795/4885ROCK2 580/4885CHRM4 1672/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 GRM2 1795/4885ROCK2 580/4885CHRM4 1672/4885

“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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