SCHEMBL22324791

SCHEMBL22324791

COc1ccc(SC2CCN(c3cn[nH]c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ ROCK2 O75116 3/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL22340539 0.85 ROCK2 (0.42) ADRB1HTR3ADDB1CRBNHTR2C
SCHEMBL22324881 0.84 HRH3 (0.37) HRH3DDB1CRBNROCK2HTR1A
SCHEMBL22324943 0.84 CARM1 (0.42) HRH3HTR2CROCK2
SCHEMBL22324868 0.80 DRD2 (0.49) HRH4HRH3HTR3EHTR3BADRB1
SCHEMBL22324821 0.79 HTR3E (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22325026 0.77 SCN4A (0.39) HRH4HRH3HTR3EHTR3BADRB1
SCHEMBL22324866 0.77 HRH4 (0.55) HRH4HRH3KMT2ASMN1; SMN2
SCHEMBL22324797 0.75 DDB1 (0.39) HRH4HRH3HTR3EHTR3BADRB1
SCHEMBL1186647 0.73 DDB1 (0.51) DDB1CRBN
SCHEMBL22325030 0.73 DDB1 (0.33) DDB1CRBNALDH1A1

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 HRH4 1041/4885HRH3 2749/4885HTR3E 110/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HRH4 1041/4885HRH3 2749/4885HTR3E 110/4885

“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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