SCHEMBL5482447

SCHEMBL5482447

COc1ccccc1C(=O)NC1CCCCNCC1.[CH2].[CH2]

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SGMS2 Q8NHU3 1/20 0.52
HTR4 Q13639 1/20 0.52
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
KDM1A O60341 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL1753596 0.95 RAB9A (0.55) RAB9AL3MBTL1ATMALDH1A1KMT2A
SCHEMBL593297 0.92 HTR4 (0.58) RAB9AL3MBTL1ATMKMT2AMEN1
Hydrochloric Acid SCHEMBL594135 0.91 HTR4 (0.57) RAB9AL3MBTL1ATMKMT2AMEN1
SCHEMBL11236668 0.87 RAB9A (0.71) RAB9AL3MBTL1ATMALDH1A1KMT2A
SCHEMBL1753490 0.85 DRD4 (0.55) RAB9AL3MBTL1KMT2AMEN1HTR4
SCHEMBL2542357 0.83 TAS1R3 (0.68) RAB9AL3MBTL1ATMALDH1A1KMT2A
SCHEMBL11099692 0.80 ALDH1A1 (0.49) RAB9AALDH1A1KMT2AMEN1SGMS2
SCHEMBL5476430 0.78 NPC1 (0.56) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL8219157 0.77 BRPF1 (0.51) RAB9AKMT2AHTR4NPC1GAA
SCHEMBL7300279 0.77 MEN1 (0.51) KMT2AMEN1HTR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 RAB9A 908/4885L3MBTL1 3923/4885ATM 3580/4885

“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.