SCHEMBL15313014

SCHEMBL15313014

O=C(CC1CCCCC1)c1csc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
BAZ2A Q9UIF9 1/20 0.36
DNM1L O00429 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMO Q99835 1/20 0.34
SPR P35270 1/20 0.34
FAAH O00519 2/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2595508 0.84 GPR119 (0.47) KDM4EHPGDFAAHLMNAMAPT
SCHEMBL15312962 0.83 BAZ2A (0.34) PIM1PIM3PIM2BAZ2ADNM1L
SCHEMBL15312959 0.83 BAZ2A (0.34) PIM1PIM3PIM2BAZ2ADNM1L
SCHEMBL3454398 0.83 USP30 (0.42) PIM1PIM3PIM2DNM1LSMN1; SMN2
SCHEMBL2952296 0.81 CASP8 (0.42) ALDH1A1HSD17B10SPRFAAHHTT
Hydrochloric Acid SCHEMBL2594203 0.81 BAZ2A (0.43) PIM1PIM3PIM2BAZ2ADNM1L
SCHEMBL1045160 0.80 HTR2C (0.44) ALDH1A1KDM4EHSD17B10HPGDSPR
SCHEMBL2591277 0.79 ALDH1A1 (0.33) PIM1PIM3PIM2DNM1LALDH1A1
SCHEMBL1884435 0.79 FAAH (0.38) PIM1PIM3PIM2SMOFAAH
SCHEMBL1773857 0.78 BAZ2A (0.40) BAZ2ASPRFAAHTRPC3TRPC6

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-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 PIM1 722/4885PIM3 1390/4885PIM2 914/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 PIM1 672/4885PIM3 1193/4885PIM2 992/4885

“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.