SCHEMBL22324802

SCHEMBL22324802

Clc1ccc(CC2CCN(c3cn[nH]c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ RPS6KB1 P23443 2/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ FPR2 P25090 4/20 0.43
▸ PROKR1 Q8TCW9 4/20 0.43
▸ MDM2 Q00987 1/20 0.41
▸ GMNN O75496 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHI3L1 P36222 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
Hydrochloric Acid SCHEMBL22325217 0.99 ALDH1A1 (0.47) ALDH1A1RPS6KB1SLC6A2SLC6A4FPR2
SCHEMBL22324804 0.86 LMNA (0.44) GRIN1GRIN2B
SCHEMBL26132895 0.86 ROCK2 (0.49) ALDH1A1RPS6KB1SLC6A2SLC6A4
SCHEMBL22324836 0.86 SMN1; SMN2 (0.50) ALDH1A1SLC6A2SLC6A4TSHR
SCHEMBL22324779 0.86 MAPT (0.51) ALDH1A1SLC6A2SLC6A4TSHR
SCHEMBL22324866 0.84 HRH4 (0.55) GRIN1GRIN2B
SCHEMBL22324860 0.79 DRD2 (0.44) MDM2TP53KCNH2CHIT1CHIA
SCHEMBL22324839 0.78 ROCK2 (0.42) ALDH1A1
SCHEMBL22324767 0.78 MAPT (0.42) ALDH1A1
SCHEMBL22324909 0.76 HTR1A (0.56) SLC6A4

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 545/4885RPS6KB1 1774/4885SLC6A2 1927/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885RPS6KB1 1774/4885SLC6A2 1927/4885

“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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