SCHEMBL3104069

SCHEMBL3104069

CCCC(=O)OC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.39
SLC6A1 P30531 2/20 0.38
TSHR P16473 2/20 0.38
SLC6A11 P48066 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
ROCK1 Q13464 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.34
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL7454131 0.90 NAAA (0.45) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
SCHEMBL7457705 0.90 NAAA (0.45) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
SCHEMBL7457710 0.90 NAAA (0.45) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
Hydrochloric Acid SCHEMBL6102499 0.88 NAAA (0.44) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
Hydrochloric Acid SCHEMBL7455941 0.88 NAAA (0.44) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
Hydrochloric Acid SCHEMBL7455934 0.88 NAAA (0.44) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
SCHEMBL15565100 0.86 NAAA (0.41) NAAASMN1; SMN2SLC6A1TSHRSLC6A11
SCHEMBL14925177 0.80 NAAA (0.54) NAAASMN1; SMN2EPHX1
SCHEMBL2433610 0.80 NAAA (0.67) NAAASMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1695592 0.80 NAAA (0.72) NAAASMN1; SMN2TSHRLMNAALDH1A1

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-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
EP-2181990-B1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-08-08 EP disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP 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-20100256189-A1 PIPERIDINE DERIVATIVE AR, NR5A1, CYP17A1 NAAA 1671/4885SMN1; SMN2 4547/4885SLC6A1 2260/4885

“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.