SCHEMBL4178620

SCHEMBL4178620

C[C@@H]1CN(c2cc[c]cn2)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
AOC3 Q16853 1/20 0.37
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
PRKDC P78527 1/20 0.36
MAP3K12 Q12852 1/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5477220 1.00 KMT2A (0.47) KMT2AALDH1A1KDM4EGAATDP1
SCHEMBL4776068 0.81 NR3C2 (0.43) LRRK2
SCHEMBL5468980 0.80 HDAC1 (0.38) KMT2AKDM4EHTTMEN1LMNA
SCHEMBL8185320 0.78 PIK3CA (0.31)
SCHEMBL8185318 0.78 PIK3CA (0.31)
SCHEMBL8194229 0.78 PIK3CA (0.31)
SCHEMBL17316302 0.77 CHRM3 (0.34)
SCHEMBL8196976 0.77 PDE10A (0.33)
SCHEMBL8199014 0.77 PDE10A (0.33)
SCHEMBL8196445 0.77 PDE10A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 US disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A KMT2A 3422/4885ALDH1A1 365/4885KDM4E 2328/4885
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE4A, PDE4B KMT2A 2979/4885ALDH1A1 540/4885KDM4E 1741/4885

“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.