SCHEMBL3333201

SCHEMBL3333201

CCCCc1ccc(N(C)CC(=O)N2CCN(c3ncccc3C#N)C[C@H]2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.52
ACKR3 P25106 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
CHRM1 P11229 6/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 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
SCHEMBL3332826 1.00 GRM1 (0.52) GRM1ACKR3PIK3CDPIK3R1KDM4E
SCHEMBL3332832 1.00 GRM1 (0.52) GRM1ACKR3PIK3CDPIK3R1KDM4E
SCHEMBL8170625 0.87 HSD11B1 (0.39) GRM1KDM4ECHRM1CHRM2CHRM4
SCHEMBL8163525 0.87 HSD11B1 (0.39) GRM1KDM4ECHRM1CHRM2CHRM4
SCHEMBL3338988 0.86 KDM4E (0.52) ACKR3KDM4EALDH1A1NPC1HPGD
SCHEMBL3332821 0.84 GRM1 (0.53) GRM1ACKR3PIK3CDPIK3R1KDM4E
SCHEMBL3333199 0.84 GRM1 (0.53) GRM1ACKR3PIK3CDPIK3R1KDM4E
SCHEMBL3334388 0.84 KDM4E (0.40) GRM1ACKR3KDM4EALDH1A1NPC1
SCHEMBL3338768 0.83 MEN1 (0.50) ACKR3KDM4EALDH1A1NPC1HPGD
SCHEMBL3334926 0.75 KDM4E (0.49) KDM4EALDH1A1NPC1HPGDCASP3

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 7 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
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN 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
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN 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 GRM1 2/4885ACKR3 1073/4885PIK3CD 2257/4885

“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.