SCHEMBL3339006

SCHEMBL3339006

CCCCc1ccc(N(C)C(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
RARB P10826 1/20 0.38
PLK1 P53350 1/20 0.38
THRA P10827 4/20 0.38
THRB P10828 4/20 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
SCHEMBL8168223 0.80 ALDH1A1 (0.51) HPGDALDH1A1HSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL3334119 0.79 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3332104 0.76 HPGD (0.43) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3339001 0.75 HPGD (0.44) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5755875 0.74 HPGD (0.44) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL177445 0.73 THRA (0.47) ALDH1A1HSD17B10KDM4ERARBTHRA
SCHEMBL27774679 0.69 HPGD (0.42) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL13978713 0.69 ADAMTS4 (0.47) SMN1; SMN2
SCHEMBL15014088 0.68 NPC1 (0.62) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5747846 0.68 CTSK (0.51) HPGDALDH1A1HSD17B10NPC1RAB9A

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 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
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP 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 HPGD 2221/4885ALDH1A1 1506/4885HSD17B10 3662/4885

“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.