SCHEMBL5622253

SCHEMBL5622253

Clc1ccc(CN2CC3CCC2Cc2ccccc2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRM7 Q14831 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD4 P21917 1/20 0.37
NOD1 Q9Y239 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL5622144 1.00 DRD2 (0.49) DRD2DRD3KCNH2GRM7SIGMAR1
SCHEMBL5622302 1.00 DRD2 (0.49) DRD2DRD3KCNH2GRM7SIGMAR1
SCHEMBL5620557 0.90 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1ADORA2A
SCHEMBL5622611 0.90 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1ADORA2A
SCHEMBL14458480 0.90 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1ADORA2A
SCHEMBL5621949 0.89 DRD2 (0.50) DRD2DRD3KCNH2SIGMAR1DRD4
SCHEMBL5623495 0.87 DRD2 (0.43) DRD2DRD3KCNH2SIGMAR1ADORA2A
SCHEMBL14458604 0.87 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1ADORA2A
SCHEMBL5620742 0.87 DRD2 (0.43) DRD2DRD3KCNH2SIGMAR1BCHE
SCHEMBL5621104 0.87 DRD2 (0.43) DRD2DRD3KCNH2SIGMAR1BCHE

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-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US claimed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20050239815-A1 Tyrosine kinase inhibitors KIM ANNETTE J 2005-10-27 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 DRD2 1517/4885DRD3 1813/4885KCNH2 1155/4885
US-20050239815-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 DRD2 1517/4885DRD3 1813/4885KCNH2 1155/4885

“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.