SCHEMBL4151501

SCHEMBL4151501

NC1CCOc2cc(CN3CC=CCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
MAOA P21397 3/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC18A3 Q16572 1/20 0.33
LTA4H P09960 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
BDKRB1 P46663 1/20 0.32

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
SCHEMBL4147234 0.91 CYP2D6 (0.40) CYP2D6TSHRSMN1; SMN2KMT2ASLC18A3
SCHEMBL5950942 0.82 SMN1; SMN2 (0.47) CYP2D6SMN1; SMN2BDKRB1
SCHEMBL5950940 0.82 SMN1; SMN2 (0.47) CYP2D6SMN1; SMN2BDKRB1
SCHEMBL4133986 0.80 LTA4H (0.44) CYP2D6KMT2ASLC18A3LTA4HKDM4E
SCHEMBL4149726 0.76 ALDH1A1 (0.50) TSHRSMN1; SMN2KMT2ALTA4HKDM4E
SCHEMBL3570796 0.73 MAP3K14 (0.41) BDKRB1
SCHEMBL3570792 0.73 MAP3K14 (0.41) BDKRB1
SCHEMBL4147058 0.73 KMT2A (0.53) KMT2ALTA4HKDM4EGAA
SCHEMBL4148884 0.71 CYP3A4 (0.41) CYP2D6MAOAKMT2ALTA4HMAOB
SCHEMBL4141579 0.70 KIF11 (0.36) MAOBKDM4E

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-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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 (2 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 CYP2D6 48/4885MAOA 470/4885TSHR 4705/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 CYP2D6 48/4885MAOA 470/4885TSHR 4705/4885

“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.