SCHEMBL3231877

SCHEMBL3231877

Cc1cc(CCC=O)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
RAB9A P51151 2/20 0.50
FCGR1A P12314 1/20 0.50
NPC1 O15118 1/20 0.50
NTRK1 P04629 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL16050054 0.86 MAPK1 (0.61) MAPK1CYP2C19CYP1A2RAB9AFCGR1A
SCHEMBL3237113 0.81 ALDH1A1 (0.54) MAPK1CYP2C19CYP1A2RAB9ANPC1
SCHEMBL3232114 0.81 CNR1 (0.43) MAPK1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3234769 0.80 ALDH1A1 (0.51) ALDH1A1GAALMNAHTTL3MBTL1
SCHEMBL16050044 0.80 MAPK1 (0.54) MAPK1CYP2C19CYP1A2RAB9AFCGR1A
SCHEMBL23116813 0.80 MAPK1 (0.58) MAPK1CYP2C19CYP1A2RAB9AFCGR1A
SCHEMBL2612161 0.80 MAPK1 (0.58) MAPK1CYP2C19CYP1A2RAB9AFCGR1A
SCHEMBL3236666 0.79 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTL3MBTL1
SCHEMBL16050084 0.78 MAPK1 (0.56) MAPK1CYP2C19CYP1A2RAB9AFCGR1A
SCHEMBL28146104 0.78 MAPK1 (0.56) MAPK1CYP2C19CYP1A2RAB9AFCGR1A

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-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
WO-2008108517-A2 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-12 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-20120209001-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D MAPK1 3236/4885CYP2C19 231/4885CYP1A2 522/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D MAPK1 3236/4885CYP2C19 231/4885CYP1A2 522/4885

“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.