SCHEMBL3948732

SCHEMBL3948732

CCCCNC(=O)c1ccncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.58
NAAA Q02083 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
FAAH O00519 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM4 Q14833 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL13727789 0.94 NAAA (0.64) P2RX7NAAAKDM4EFAAHSMN1; SMN2
SCHEMBL13728025 0.90 P2RX7 (0.62) P2RX7NAAAKDM4EFAAHGAA
SCHEMBL27189086 0.86 NAAA (0.54) P2RX7NAAAKDM4EHTTTSHR
SCHEMBL2368963 0.85 ALOX15 (0.61) P2RX7KDM4EHTTSMN1; SMN2HPGD
SCHEMBL19169446 0.84 P2RX7 (0.54) P2RX7NAAAKDM4ESMN1; SMN2HDAC3
SCHEMBL20220998 0.84 P2RX7 (0.54) P2RX7NAAAKDM4ETSHRSMN1; SMN2
SCHEMBL17844425 0.83 P2RX7 (0.66) P2RX7KDM4EHTTFAAHGAA
SCHEMBL13729260 0.83 P2RX7 (0.66) P2RX7HTTSMN1; SMN2HPGDGRM4
SCHEMBL13728503 0.81 P2RX7 (0.58) P2RX7KDM4ESMN1; SMN2HPGDNAMPT
SCHEMBL12999512 0.79 P2RX7 (0.60) P2RX7SMN1; SMN2GRM4LMNAHIF1A

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
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
EP-2049519-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008014361-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 P2RX7 292/4885NAAA 4553/4885KDM4E 2287/4885

“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.