SCHEMBL3333745

SCHEMBL3333745

CCCCc1ccc(N(C)CC(=O)N2CCN(c3nccnc3C#N)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PDGFRB P09619 1/20 0.37
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3334403 0.87 ALDH1A1 (0.45) MAPTHTTMEN1KMT2A
SCHEMBL3338988 0.87 KDM4E (0.52) PANK3MAPTKDM4EHTTMEN1
SCHEMBL3338768 0.84 MEN1 (0.50) PANK3MAPTKDM4ENOD2MEN1
SCHEMBL8170094 0.79 KDM4E (0.40) MAPTKDM4EHTTPDGFRBME2
SCHEMBL3333658 0.77 ME2 (0.48) PANK3MAPTKDM4EME2ME1
SCHEMBL3334388 0.76 KDM4E (0.40) PANK3KDM4EMEN1KMT2A
SCHEMBL3334926 0.75 KDM4E (0.49) PANK3KDM4EMEN1KMT2A
SCHEMBL3332826 0.74 GRM1 (0.52) KDM4E
SCHEMBL3333201 0.74 GRM1 (0.52) KDM4E
SCHEMBL3332832 0.74 GRM1 (0.52) KDM4E

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-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

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 PANK3 3656/4885MAPT 2485/4885KDM4E 3322/4885

“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.