SCHEMBL22324908

SCHEMBL22324908

COc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.40
▸ QDPR P09417 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL22324870 0.86 ROCK2 (0.46) ROCK2QDPR
SCHEMBL22324929 0.83 ROCK2 (0.46) ROCK2QDPR
SCHEMBL22324868 0.80 DRD2 (0.49) HTR2AHTR3AALDH1A1MAPTRAB9A
SCHEMBL22324860 0.79 DRD2 (0.44) TP53HTR1AHTR2AHTR3AKCNH2
SCHEMBL22324783 0.79 TP53 (0.42) QDPRTP53HTR1AHTR1DHTR1B
SCHEMBL22324940 0.78 TLR9 (0.41) ROCK2ACVR1
SCHEMBL22340525 0.78 HTR2C (0.53) ROCK2HTR1AHTR2AHTR2C
SCHEMBL22324762 0.78 NR3C1 (0.43) TP53HTR1AHTR2AHTR2CHTR7
SCHEMBL22324896 0.77 SLC18A3 (0.41) ROCK2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL22325001 0.77 CHRNB2 (0.45) HTR1DHTR1B

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 580/4885QDPR 273/4885TP53 4458/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ROCK2 580/4885QDPR 273/4885TP53 4458/4885

“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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