SCHEMBL22324821

SCHEMBL22324821

COc1ccc(N2CCN(c3cn[nH]c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.57
▸ HTR3B O95264 1/20 0.57
▸ ADRB1 P08588 1/20 0.57
▸ HTR3A P46098 1/20 0.57
▸ HTR3D Q70Z44 1/20 0.57
▸ HTR3C Q8WXA8 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ MAPT P10636 7/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ DRD2 P14416 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ DHFR P00374 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.48

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
SCHEMBL22324868 0.82 DRD2 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28599511 0.82 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29656856 0.82 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22324791 0.79 HRH4 (0.41) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22324866 0.79 HRH4 (0.55) KMT2ASMN1; SMN2
SCHEMBL22324884 0.79 MAPT (0.48) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL17869423 0.77 RPS6KA3 (0.44) HTR3AMAPTRAB9AKMT2AALDH1A1
SCHEMBL8890453 0.75 GAA (0.69) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL17869221 0.75 RPS6KA3 (0.43) HTR3AMAPTRAB9AKMT2AALDH1A1
SCHEMBL424503 0.74 DRD2 (0.66) HTR3EHTR3BADRB1HTR3AHTR3D

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 HTR3E 110/4885HTR3B 109/4885ADRB1 2411/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HTR3E 110/4885HTR3B 109/4885ADRB1 2411/4885

“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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