SCHEMBL3334403

SCHEMBL3334403

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL3334926 0.88 KDM4E (0.49) ALDH1A1LMNASMN1; SMN2USP2TSHR
SCHEMBL3333745 0.87 PANK3 (0.39) MAPTKMT2AMEN1HTT
SCHEMBL3338988 0.75 KDM4E (0.52) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL8170099 0.75 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2USP2TSHR
SCHEMBL3333658 0.74 ME2 (0.48) SMN1; SMN2MAPTL3MBTL1
SCHEMBL3338768 0.72 MEN1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL3333697 0.68 MAPT (0.46) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL3334649 0.67 KDM4E (0.62) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8170094 0.67 KDM4E (0.40) MAPTKMT2AMEN1HTT
SCHEMBL3334891 0.67 KDM4E (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A

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 ALDH1A1 1506/4885LMNA 4343/4885SMN1; SMN2 913/4885

“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.