SCHEMBL463892

SCHEMBL463892

COc1cccc(CC2(C(=O)c3ccc4c(c3)CCN4)CCNC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
TNIK Q9UKE5 1/20 0.44
CYP2D6 P10635 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39

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
SCHEMBL413410 0.87 SLC6A2 (0.60) ACHESLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL442169 0.86 SLC6A2 (0.59) ACHESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL414819 0.78 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3CYP2D6L3MBTL1
SCHEMBL463902 0.78 SLC6A2 (0.54) ACHESLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL443405 0.78 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6L3MBTL1
SCHEMBL12065511 0.76 SLC6A2 (0.54) ACHESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL412776 0.72 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3TNIKCYP2D6
SCHEMBL414960 0.72 KDM4E (0.52) ACHESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL414839 0.71 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL447045 0.70 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6

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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR ACHE 2695/4885SLC6A2 4870/4885SLC6A4 4855/4885

“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.