SCHEMBL6385642

SCHEMBL6385642

CN(C)CCOc1ccc(CNC(=O)c2cnc(NNC(=O)NC3c4ccccc4CCc4ccccc43)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
LMNA P02545 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
BDKRB2 P30411 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
RAD52 P43351 1/20 0.38

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
SCHEMBL6385482 0.85 BDKRB2 (0.51) BDKRB2MEN1KMT2A
SCHEMBL6384200 0.81 ROCK2 (0.40) L3MBTL1ROCK2ROCK1ENPP2CXCR3
SCHEMBL6385697 0.81 BDKRB2 (0.41) LMNACYP2C19SMN1; SMN2BDKRB2MEN1
SCHEMBL6390952 0.80 BDKRB2 (0.45) LMNAACHECYP2C19SMN1; SMN2MAPK1
SCHEMBL6392038 0.79 OPRM1 (0.49) LMNACYP2C19MEN1KMT2AL3MBTL1
SCHEMBL4698590 0.79 BDKRB2 (0.40) LMNACYP2C19SMN1; SMN2BDKRB2MEN1
SCHEMBL6387921 0.77 BDKRB2 (0.51) DRD3SMN1; SMN2BDKRB2KMT2A
SCHEMBL6386312 0.77 EPHX1 (0.42) DRD3BDKRB2MEN1KMT2AMAPT
SCHEMBL4756002 0.77 ALDH1A1 (0.39) LMNASMN1; SMN2BDKRB2MEN1KMT2A
SCHEMBL6385497 0.76 HTR2C (0.51) DRD3BDKRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 DRD2 873/4885DRD3 696/4885LMNA 2266/4885

“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.