SCHEMBL4965387

SCHEMBL4965387

CC(Oc1ccccc1)C1CCCCN1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.50
SLC6A2 P23975 8/20 0.50
SLC6A4 P31645 6/20 0.50
DHFR P00374 1/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6625146 0.98 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRCHRNB4
SCHEMBL6757125 0.95 CHRNB4 (0.50) SLC6A3SLC6A2SLC6A4DHFRCHRNB4
SCHEMBL27996273 0.87 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL4319146 0.86 LTA4H (0.54) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4319155 0.86 LTA4H (0.54) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4313832 0.86 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL4313825 0.86 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6800333 0.84 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL3114462 0.84 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL6698315 0.83 CHRNB2 (0.55) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3

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
EP-1891051-A2 SOLID FORMS OF 1-( 5-(IH-I , 2 , 4 -TRIAZOL- 5 -YL)(1H-INDAZOL-3-YL))-3-(2-PIPERIDYLETHOXY)BENZENE CELGENE CORPORATION (US) 2008-02-27 EP disclosed
WO-2006130297-A2 SOLID FORMS OF 1-( 5-(IH-I , 2 , 4 -TRIAZOL- 5 -YL)(1H-INDAZOL-3-YL))-3-(2-PIPERIDYLETHOXY)BENZENE CELGENE CORPORATION (US) 2006-12-07 WO disclosed
US-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2004-09-30 US 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-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R SLC6A3 464/4885SLC6A2 196/4885SLC6A4 451/4885

“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.