SCHEMBL3333199

SCHEMBL3333199

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.53
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 1/20 0.42
PREP P48147 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
KDM4E B2RXH2 4/20 0.41

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
SCHEMBL3332821 1.00 GRM1 (0.53) GRM1ALDH1A1NPC1HPGDCASP3
SCHEMBL3332832 0.84 GRM1 (0.52) GRM1ALDH1A1NPC1HPGDCASP3
SCHEMBL3333201 0.84 GRM1 (0.52) GRM1ALDH1A1NPC1HPGDCASP3
SCHEMBL3332826 0.84 GRM1 (0.52) GRM1ALDH1A1NPC1HPGDCASP3
SCHEMBL3334386 0.83 ALDH1A1 (0.42) GRM1ALDH1A1NPC1HPGDCASP3
SCHEMBL3334891 0.76 KDM4E (0.53) ALDH1A1NPC1HPGDCASP3RAB9A
SCHEMBL5482402 0.74 GRM1 (0.66) GRM1ALDH1A1DPP4PREPDPP8
SCHEMBL3334649 0.73 KDM4E (0.62) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3338988 0.71 KDM4E (0.52) ALDH1A1NPC1HPGDCASP3RAB9A
SCHEMBL4265405 0.71 TRPV1 (0.56) KDM4EMEN1KMT2A

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 2 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

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 2/4885ALDH1A1 1506/4885NPC1 1641/4885

“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.