SCHEMBL4153648

SCHEMBL4153648

CNCc1cc(Br)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.45
ACP1 P24666 1/20 0.41
CYP2A6 P11509 2/20 0.39
ADRB2 P07550 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
XIAP P98170 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL8818260 0.83 CYP2A6 (0.43) ACP1CYP2A6LMNAMEN1MAPT
SCHEMBL1254044 0.79 IFNAR1 (0.49) IFNAR1CYP2A6ADRB2LMNAMEN1
SCHEMBL11942308 0.79 ACP1 (0.41) ACP1CYP2A6MEN1MAPTKMT2A
SCHEMBL4153142 0.79 IFNAR1 (0.45) IFNAR1CYP2A6ADRB2SLC6A4SLC6A2
SCHEMBL1229705 0.77 ACP1 (0.42) ACP1CYP2A6MEN1MAPTKMT2A
SCHEMBL4161556 0.76 CA1 (0.47) IFNAR1CYP2A6ADRB2LMNAMEN1
SCHEMBL9857923 0.76 KDM4E (0.46) IFNAR1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3860367 0.76 ACP1 (0.41) ACP1CYP2A6MEN1KMT2AHTR2A
SCHEMBL5253278 0.76 CYP2A6 (0.40) ACP1CYP2A6LMNAMEN1MAPT
SCHEMBL10418726 0.75 CSNK2A1 (0.41) ACP1CYP2A6LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100534983-C Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LTD (GB) 2009-09-02 CN disclosed
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
CN-1819995-A Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LTD (GB) 2006-08-16 CN disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 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-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 IFNAR1 977/4885ACP1 2925/4885CYP2A6 502/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 IFNAR1 977/4885ACP1 2925/4885CYP2A6 502/4885

“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.