SCHEMBL6028644

SCHEMBL6028644

Cc1ccccc1-c1nsc(N2CCNCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
HTR7 P34969 3/20 0.52
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 3/20 0.47
ADRB1 P08588 3/20 0.46
FAAH O00519 3/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCF1 P14598 1/20 0.41
HTR3A P46098 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL3759730 0.83 FAAH (0.50) CYP1A2CYP3A4CYP2D6TSHRCLK4
Hydrochloric Acid SCHEMBL3766268 0.82 FAAH (0.49) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL532234 0.80 FAAH (0.55) FAAHNPC1RAB9A
SCHEMBL4483992 0.77 FAAH (0.51) HTR7HTR1AADRB1FAAHHTR3A
SCHEMBL2005879 0.76 LMNA (0.47) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL2007027 0.75 FAAH (0.51) HTR7HTR1AFAAHHTR3ANPC1
SCHEMBL3766351 0.75 HTR7 (0.52) HTR7HTR1AFAAHALDH1A1KDM4E
SCHEMBL3766149 0.73 FLT3 (0.54) CYP1A2CYP3A4CYP2D6CLK4MEN1
SCHEMBL14488329 0.73 CHEK1 (0.46) HTR7HTR1AFAAHNPC1RAB9A
SCHEMBL15033510 0.72 KDM4E (0.58) CYP1A2CYP3A4CYP2D6TSHRCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022696-B2 Piperazino-derivatives and their use as PDE4 inhibitor ALTANA PHARMA AG (DE) 2006-04-04 US disclosed
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor ATLANTA PHARMA AG (DE) 2004-07-08 US disclosed
EP-1385838-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 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 (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-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor PDE4A, PDE4B, PDE3A CYP1A2 366/4885CYP3A4 90/4885CYP2D6 651/4885

“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.