SCHEMBL5623328

SCHEMBL5623328

Clc1cccc(CN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
DRD3 P35462 3/20 0.56
KCNH2 Q12809 3/20 0.56
SIGMAR1 Q99720 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5620831 1.00 DRD2 (0.56) DRD2DRD3KCNH2SIGMAR1GAA
SCHEMBL5621949 0.90 DRD2 (0.50) DRD2DRD3KCNH2SIGMAR1DRD4
SCHEMBL5622134 0.88 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1GAA
SCHEMBL5620557 0.88 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1
SCHEMBL14458480 0.88 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1
SCHEMBL5622611 0.88 DRD2 (0.46) DRD2DRD3KCNH2SIGMAR1
SCHEMBL5622253 0.87 DRD2 (0.49) DRD2DRD3KCNH2SIGMAR1ALDH1A1
SCHEMBL5622144 0.87 DRD2 (0.49) DRD2DRD3KCNH2SIGMAR1ALDH1A1
SCHEMBL5622302 0.87 DRD2 (0.49) DRD2DRD3KCNH2SIGMAR1ALDH1A1
SCHEMBL5622229 0.86 DRD2 (0.44) DRD2DRD3KCNH2SIGMAR1GAA

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 4 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

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-20070173525-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.