SCHEMBL3224432

SCHEMBL3224432

COc1cccc(N2CCN(CCCc3cc(-c4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
DRD4 P21917 8/20 0.53
DRD2 P14416 6/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CACNA1G O43497 2/20 0.51
ABCB1 P08183 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTR1A P08908 2/20 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
SCHEMBL3231817 0.91 DRD2 (0.50) DRD4DRD2SMN1; SMN2
SCHEMBL3226346 0.91 DRD2 (0.50) DRD4DRD2SMN1; SMN2
SCHEMBL3226458 0.89 SIGMAR1 (0.52) KCNH2DRD4DRD2KDM4ECACNA1G
SCHEMBL3229075 0.88 DRD2 (0.51) DRD4DRD2KDM4EHTR1A
SCHEMBL3226486 0.87 SIGMAR1 (0.48) KCNH2DRD4DRD2MAPTTSHR
SCHEMBL3228750 0.86 HSD17B10 (0.51) KCNH2DRD4DRD2SMN1; SMN2MAPT
SCHEMBL3235866 0.85 HTR7 (0.51) KCNH2DRD4DRD2HTR1A
SCHEMBL3227450 0.85 SIGMAR1 (0.46) DRD4DRD2KDM4EHTR1A
SCHEMBL3237665 0.85 SIGMAR1 (0.55) DRD4DRD2KDM4EHTR1A
SCHEMBL3231452 0.84 DRD2 (0.44) DRD4DRD2KDM4ECACNA1GHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236806-B2 Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-07 US claimed
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US claimed

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-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D KCNH2 1834/4885DRD4 7/4885DRD2 4/4885

“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.