SCHEMBL8169299

SCHEMBL8169299

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RARB P10826 2/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
POLB P06746 1/20 0.46
PLK1 P53350 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
Hydrochloric Acid SCHEMBL3334465 0.98 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10RARBKEAP1
SCHEMBL11434203 0.85 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10RARBKEAP1
SCHEMBL11587329 0.84 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10RARBPLK1
SCHEMBL27795532 0.83 CA1 (0.46) ALDH1A1HPGDHSD17B10RARBPOLB
SCHEMBL26025423 0.82 CA2 (0.48) ALDH1A1HPGDHSD17B10RARBPLK1
SCHEMBL13634482 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKEAP1NFE2L2POLB
SCHEMBL84023 0.81 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10RARBTHRB
SCHEMBL3332104 0.79 HPGD (0.43) ALDH1A1HPGDHSD17B10RARBPOLB
SCHEMBL9169757 0.79 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10RARBKDM4E
SCHEMBL9972487 0.79 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10RARBKDM4E

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 3 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
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 ALDH1A1 1506/4885HPGD 2221/4885HSD17B10 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.