SCHEMBL4909416

SCHEMBL4909416

O=C(O)N(CC1CC1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.43
SLC6A4 P31645 16/20 0.43
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRE P78334 1/20 0.40
PMP22 Q01453 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40

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
SCHEMBL5560613 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL3261658 0.84 CCR5 (0.35) SLC6A2SLC6A4GABRA5GABRB2GABRA1
SCHEMBL4610590 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4962557 0.80 ALOX5 (0.36) SLC6A2SLC6A4
SCHEMBL4962560 0.80 ALOX5 (0.36) SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL22797910 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1290745 0.78 SLC6A4 (0.42) SLC6A2SLC6A4GABRA5GABRB2GABRA1
SCHEMBL18469985 0.77 SLC6A2 (0.43) SLC6A2SLC6A4GABRA5GABRB2GABRA1
SCHEMBL1958503 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL20660534 0.76 GABRA5 (0.40) SLC6A2SLC6A4GABRA5GABRB2GABRA1

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-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 SLC6A2 596/4885SLC6A4 990/4885GABRA5 184/4885

“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.