SCHEMBL22324979

SCHEMBL22324979

c1ccc(C2CCN(c3ccn[nH]3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
SLC18A3 Q16572 8/20 0.42
SIGMAR1 Q99720 2/20 0.42
GRIN2B Q13224 2/20 0.41
DRD2 P14416 1/20 0.41
IP6K1 Q92551 1/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MLYCD O95822 1/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 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
SCHEMBL22325007 0.84 DRD2 (0.45) SLC18A3DRD2CYP1A2CYP2C9KMT2A
SCHEMBL22340239 0.84 ALDH1A1 (0.44) SLC18A3DRD2SMN1; SMN2
SCHEMBL22325008 0.84 ALDH1A1 (0.44) DRD2SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22324936 0.83 HTR2C (0.50) DRD2
SCHEMBL22324907 0.83 ALDH1A1 (0.48) CYP2D6MLYCD
SCHEMBL22324910 0.81 DRD2 (0.49) DRD2NR3C1
SCHEMBL22324822 0.81 MAP4K4 (0.36) MLYCD
SCHEMBL22324998 0.79 GRM2 (0.44) DRD2
SCHEMBL22324838 0.79 HTR2C (0.47)
SCHEMBL22324789 0.76 LMNA (0.52) SIGMAR1DRD2CYP2D6SMN1; SMN2

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 DHFR 436/4885SLC18A3 919/4885SIGMAR1 2679/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 DHFR 436/4885SLC18A3 919/4885SIGMAR1 2679/4885

“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.