SCHEMBL24449205

SCHEMBL24449205

C1=C(C2CCCNC2)CNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 6/20 0.38
HTR2C P28335 5/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL6120653 0.83 CYP2D6 (0.38) DRD2DRD3HTR2AHTR2CKCNH2
SCHEMBL1586586 0.82 KDM1A (0.31) DRD2DRD3HTR2AHTR2CKCNH2
SCHEMBL32689488 0.80
SCHEMBL571897 0.80
SCHEMBL14741159 0.80
Bromide SCHEMBL11270772 0.80 KDM1A (0.39) DRD2DRD3HTR2AHTR2CKCNH2
SCHEMBL853178 0.79 KDM1A (0.35) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9391692 0.79 KDM1A (0.31)
SCHEMBL260538 0.76
SCHEMBL1156109 0.76

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 US 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 (1 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 DRD2 4067/4885DRD3 4213/4885HTR2A 558/4885

“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.