SCHEMBL22340525

SCHEMBL22340525

COc1cccc(C2CCN(c3cn[nH]c3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ ROCK2 O75116 6/20 0.51
▸ NR3C1 P04150 1/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ ADRA1A P35348 3/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ ADRB1 P08588 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ GRM2 Q14416 1/20 0.45

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
SCHEMBL22324795 0.85 TRPV6 (0.50) HTR2CDRD2ROCK2ADRB1
SCHEMBL22324868 0.84 DRD2 (0.49) DRD2NR3C1ADRB1HTR2AGRM2
SCHEMBL22324865 0.84 CHRNB2 (0.45) ROCK2
SCHEMBL22324762 0.82 NR3C1 (0.43) HTR2CDRD2NR3C1NR3C2ADRA1A
SCHEMBL22324803 0.82 ROCK2 (0.49) ROCK2GRM2
SCHEMBL22324859 0.81 ROCK2 (0.44) ROCK2
SCHEMBL22340466 0.81 DHFR (0.46) DRD2ROCK2
SCHEMBL22324913 0.81 ROCK2 (0.46) ROCK2
SCHEMBL22324909 0.81 HTR1A (0.56) ROCK2HTR1A
SCHEMBL22324851 0.81 ROCK2 (0.43) ROCK2GRM2

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 HTR2C 235/4885DRD2 2470/4885ROCK2 580/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HTR2C 235/4885DRD2 2470/4885ROCK2 580/4885

“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.

Send feedback