SCHEMBL3335575

SCHEMBL3335575

CCCCOc1ccc(CC(=O)N2CCC(N(C)c3ncccc3C#N)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MLNR O43193 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2A P28223 2/20 0.38
ELANE P08246 1/20 0.38
GRIN2B Q13224 1/20 0.38
PANK3 Q9H999 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL8169931 0.90 JAK2 (0.41) HRH2HRH1JAK2JAK3HPGD
SCHEMBL3334782 0.81 CYP3A4 (0.44) HRH2HRH1HPGDNPSR1HSD17B10
SCHEMBL3334079 0.80 KDM4E (0.58) HRH2HRH1HPGDNPSR1HSD17B10
SCHEMBL4431098 0.78 HTR2A (0.37) HTR2ASMN1; SMN2
SCHEMBL4563671 0.78 JAK2 (0.50) JAK2JAK3HPGDELANESMN1; SMN2
SCHEMBL3331527 0.77 MEN1 (0.55) HRH2HRH1HPGDNPSR1HSD17B10
SCHEMBL3338157 0.76 KDM4E (0.58) HPGDNPSR1HSD17B10L3MBTL1HTR2A
SCHEMBL3334743 0.75 THRB (0.52) HRH2HRH1HPGDNPSR1HSD17B10
SCHEMBL3336117 0.75 GPR119 (0.54) JAK2JAK3
SCHEMBL3331511 0.74 HPGD (0.50) HRH2HRH1HPGDNPSR1HSD17B10

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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US claimed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 HRH2 140/4885HRH1 148/4885JAK2 540/4885

“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.