SCHEMBL3232807

SCHEMBL3232807

Cc1ccc(-c2cc(CCCN3CCN(c4ccccc4F)CC3)nn2C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 8/20 0.42
DRD3 P35462 7/20 0.42
DRD4 P21917 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
ADRA1A P35348 3/20 0.41
MEN1 O00255 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL3234176 0.93 DRD2 (0.45) DRD2DRD3DRD4KMT2AADRA1A
SCHEMBL3226390 0.93 DRD2 (0.48) ALDH1A1SMN1; SMN2DRD2DRD3DRD4
SCHEMBL3232761 0.91 CACNA1G (0.46) ALDH1A1SMN1; SMN2DRD2DRD3DRD4
SCHEMBL3235000 0.90 HTR7 (0.49) ALDH1A1MAPTSMN1; SMN2DRD2DRD3
SCHEMBL3233621 0.86 HTR2A (0.46) ALDH1A1DRD2DRD3KMT2AADRA1A
SCHEMBL3229413 0.86 KCNH2 (0.47) MAPTKMT2AMEN1SIGMAR1HTR1A
SCHEMBL4247012 0.86 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2DRD2DRD3
SCHEMBL3231889 0.85 MEN1 (0.43) DRD2DRD4KMT2ATP53ADRA1A
SCHEMBL3228493 0.85 CNR1 (0.48) ALDH1A1MAPTSMN1; SMN2DRD2DRD3
SCHEMBL3234990 0.84 DRD2 (0.43) MAPTSMN1; SMN2DRD2DRD3DRD4

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 6 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
US-8372844-B2 Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-02-12 US disclosed
US-20120209001-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-16 US disclosed
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 disclosed
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 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-20120209001-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D ALDH1A1 1307/4885MAPT 276/4885SMN1; SMN2 3688/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D ALDH1A1 1307/4885MAPT 276/4885SMN1; SMN2 3688/4885

“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.